data_[Ta2Cu4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2511]
_cell_length_b [3.0216]
_cell_length_c [4.8057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaCu2Pb]
_chemical_formula_sum '[Ta2 Cu4 Pb2]'
_cell_volume [137.1390]
_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  0.2333  0.5000  0.1832  1
  Cu  Cu1  2  0.2739  0.0000  0.7204  1
  Cu  Cu2  2  0.4795  0.5000  0.0394  1
  Pb  Pb3  2  0.0133  0.5000  0.5570  1
]