data_[Ni4Sb4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2174]
_cell_length_b [6.0589]
_cell_length_c [6.2321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NiSbAs]
_chemical_formula_sum '[Ni4 Sb4 As4]'
_cell_volume [224.7242]
_cell_formula_units_Z [4]
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  4  0.2331  0.5102  0.7412  1.0
  Sb  Sb1  4  0.3509  0.1303  0.6475  1.0
  As  As2  4  0.1394  0.6418  0.3614  1.0
]