data_global
_chemical_name_mineral 'Pararammelsbergite'
loop_
_publ_author_name
'Fleet M E'
_journal_name_full 'American Mineralogist'
_journal_volume 57
_journal_year 1972
_journal_page_first 1
_journal_page_last 9
_publ_section_title
;
 The crystal structure of pararammelsbergite (NiAs2)
;
_database_code_amcsd 267
_chemical_formula_sum 'Ni As2'
_cell_length_a 5.753
_cell_length_b 5.799
_cell_length_c 11.407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 380.556
_exptl_crystal_density_diffrn  7.279
_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   0.997  0.1755  0.3717
As1   0.1196  0.0547  0.1809
As2   0.3664  0.3084  0.4308
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ni   0.00494  0.00101  0.00152  0.0  0.0  0.0
As1   0.00583  0.00076  0.00228  0.0  0.0  0.0
As2   0.00709  0.00127  0.00266  0.0  0.0  0.0