data_[Ta2In4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.3823]
_cell_length_b [3.0831]
_cell_length_c [5.5209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaIn2Pb]
_chemical_formula_sum '[Ta2 In4 Pb2]'
_cell_volume [188.6389]
_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  0.2698  0.0000  0.7127  1
  In  In1  2  0.2348  0.5000  0.2036  1
  In  In2  2  0.4720  0.5000  0.0286  1
  Pb  Pb3  2  0.0234  0.5000  0.5551  1
]