data_[Ta4Sb2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2868]
_cell_length_b [3.3488]
_cell_length_c [5.2445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ta2SbPb]
_chemical_formula_sum '[Ta4 Sb2 Pb2]'
_cell_volume [171.8074]
_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
[
  Ta  Ta0  2  0.0166  0.0000  0.9721  1
  Ta  Ta1  2  0.2296  0.5000  0.2683  1
  Sb  Sb2  2  0.2679  0.0000  0.8112  1
  Pb  Pb3  2  0.4859  0.0000  0.4485  1
]