data_[Ba8Cr4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [12.2632]
_cell_length_b [12.2632]
_cell_length_c [5.2884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Ba2CrPb]
_chemical_formula_sum '[Ba8 Cr4 Pb4]'
_cell_volume [795.3069]
_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  8  0.0850  0.7500  0.6250  1
  Cr  Cr1  4  0.0000  0.0000  0.5000  1
  Pb  Pb2  4  0.0000  0.0000  0.0000  1
]