data_[Ni10As10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [9.6045]
_cell_length_b [9.6045]
_cell_length_c [18.2028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [NiAs]
_chemical_formula_sum '[Ni10 As10]'
_cell_volume [1454.1824]
_cell_formula_units_Z [10]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Ni  Ni0  6  0.1402  0.2861  0.5535  1
  Ni  Ni1  3  0.0000  0.5580  0.5280  1
  Ni  Ni2  1  0.0000  0.0000  0.5094  1
  As  As3  6  0.1823  0.4913  0.4796  1
  As  As4  3  0.0000  0.7619  0.4434  1
  As  As5  1  0.0000  0.0000  0.3776  1
]