data_[Ni6As6Pb2]
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 [P222_1]
_cell_length_a [5.7221]
_cell_length_b [18.1901]
_cell_length_c [8.2718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [17]
_chemical_formula_structural [Ni3As3Pb]
_chemical_formula_sum '[Ni6 As6 Pb2]'
_cell_volume [860.9782]
_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  4  0.3662  0.4359  0.5028  1
  Ni  Ni1  2  0.2503  0.5000  0.0000  1
  As  As2  4  0.0066  0.4124  0.6027  1
  As  As3  2  0.5000  0.4958  0.7500  1
  Pb  Pb4  2  0.0000  0.4163  0.2500  1
]