#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/38/1523820.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1523820
loop_
_publ_author_name
'Heumann, T.'
_publ_section_title
;
 Beitrag zur Kenntnis der A5 B Phasen
;
_journal_name_full
;
Nachrichten der Akademie der Wissenschaften, Goettingen, 
Mathematisch-Physikalisch-Chemische Abteilung
;
_journal_page_first              21
_journal_page_last               26
_journal_volume                  1
_journal_year                    1946
_chemical_formula_sum            'Ni5 Th'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.911
_cell_length_b                   4.911
_cell_length_c                   3.982
_cell_volume                     83.171
_citation_journal_id_ASTM        NACGA3
_cod_data_source_file            Heumann_NACGA3_1946_1536.cif
_cod_data_source_block           Ni5Th1
_cod_original_cell_volume        83.17096
_cod_original_formula_sum        'Ni5 Th1'
_cod_database_code               1523820
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
x,x-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Th1 Th 0 0 0 1 0.0
Ni2 Ni 0.5 0 0.5 1 0.0
Ni1 Ni 0.3333 0.6667 0 1 0.0
