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 0000267
_chemical_formula_sum 'Ni As2'
_cell_length_a 5.753
_cell_length_b 5.799
_cell_length_c 11.407
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_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   0.99700   0.17550   0.37170
As1   0.11960   0.05470   0.18090
As2   0.36640   0.30840   0.43080
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 0.00000 0.00000 0.00000
As1 0.00583 0.00076 0.00228 0.00000 0.00000 0.00000
As2 0.00709 0.00127 0.00266 0.00000 0.00000 0.00000