data_[Ba4Sn12Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8741]
_cell_length_b [30.3206]
_cell_length_c [4.7401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaSn3Pb]
_chemical_formula_sum '[Ba4 Sn12 Pb4]'
_cell_volume [700.5117]
_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
[
  Ba  Ba0  4  0.0000  0.0764  0.2500  1.0
  Sn  Sn1  4  0.0000  0.3093  0.7500  1.0
  Sn  Sn2  4  0.0000  0.3722  0.2500  1.0
  Sn  Sn3  4  0.0000  0.4726  0.2500  1.0
  Pb  Pb4  4  0.0000  0.1999  0.7500  1.0
]