data_global
_chemical_name_mineral 'Orcelite'
loop_
_publ_author_name
'El-Boragy M'
'Bhan S'
'Schubert K'
_journal_name_full 'Journal of the Less-Common Metals'
_journal_volume 22 
_journal_year 1970
_journal_page_first 445
_journal_page_last 458
_publ_section_title
;
 Die kristallstruktur von Pd5Sb2 und Ni5As2 und einigen varianten
;
_database_code_amcsd 0014135
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ni5 As2'
_cell_length_a 6.825
_cell_length_b 6.825
_cell_length_c 12.513
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 504.774
_exptl_crystal_density_diffrn      8.750
_symmetry_space_group_name_H-M 'P 63 c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  'x-y,x,1/2+z'
  '-y,-x,1/2+z'
  '-y,x-y,z'
  'x-y,-y,z'
  '-x,-y,1/2+z'
  'x,x-y,1/2+z'
  '-x+y,-x,z'
  'y,x,z'
  'y,-x+y,1/2+z'
  '-x+y,y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ni1   0.00000   0.00000   0.94800   0.02520
Ni2   0.33333   0.66667   0.10000   0.03572
Ni3   0.24400   0.00000   0.12200   0.01191
Ni4   0.63000   0.00000   0.21500   0.01558
Ni5   0.31200   0.00000   0.32000   0.05661
Ni6   0.61400   0.00000   0.44000   0.07472
As1   0.00000   0.00000   0.25600   0.00519
As2   0.33333   0.66667   0.29800   0.00456
As3   0.67000   0.00000   0.02300   0.01456