data_global
_chemical_name_mineral 'Pararammelsbergite'
loop_
_publ_author_name
'Stassen W N'
'Heyding R D'
_journal_name_full 'Canadian Journal of Chemistry'
_journal_volume 46 
_journal_year 1968
_journal_page_first 2159
_journal_page_last 2163
_publ_section_title
;
 Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2
;
_database_code_amcsd 0012153
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ni As2'
_cell_length_a 5.770
_cell_length_b 5.838
_cell_length_c 11.419
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 384.652
_exptl_crystal_density_diffrn      7.202
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni   0.02000   0.82300   0.13500
As1   0.86500   0.19400   0.06900
As2   0.12300   0.44700   0.18200