data_[Ni8As6]
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 [Cm]
_cell_length_a [12.3425]
_cell_length_b [3.7951]
_cell_length_c [18.3015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ni4As3]
_chemical_formula_sum '[Ni8 As6]'
_cell_volume [857.2665]
_cell_formula_units_Z [2]
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  2  0.0612  0.5000  0.4487  1
  Ni  Ni1  2  0.2603  0.5000  0.4699  1
  Ni  Ni2  2  0.3180  0.0000  0.5512  1
  Ni  Ni3  2  0.4534  0.5000  0.5009  1
  As  As4  2  0.1436  0.0000  0.4899  1
  As  As5  2  0.3569  0.5000  0.6099  1
  As  As6  2  0.3789  0.0000  0.4295  1
]