data_[Ta4Cu2Pb2]
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 [9.8810]
_cell_length_b [3.0032]
_cell_length_c [5.1809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ta2CuPb]
_chemical_formula_sum '[Ta4 Cu2 Pb2]'
_cell_volume [150.8583]
_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  0.0127  0.0000  0.0406  1
  Ta  Ta1  2  0.2507  0.5000  0.2356  1
  Cu  Cu2  2  0.4886  0.0000  0.4938  1
  Pb  Pb3  2  0.2479  0.0000  0.7300  1
]