data_[Ni12As4Pb8]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.5125]
_cell_length_b [6.5810]
_cell_length_c [5.5344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ni3AsPb2]
_chemical_formula_sum '[Ni12 As4 Pb8]'
_cell_volume [419.3071]
_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  8  0.1161  0.4590  0.9955  1.0
  Ni  Ni1  4  0.0000  0.0478  0.9788  1.0
  As  As2  4  0.0000  0.2950  0.2890  1.0
  Pb  Pb3  8  0.1812  0.1594  0.7005  1.0
]