data_[Ta2In2Pb4]
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 [11.7644]
_cell_length_b [3.1323]
_cell_length_c [5.5997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaInPb2]
_chemical_formula_sum '[Ta2 In2 Pb4]'
_cell_volume [198.6912]
_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  0.0234  0.5000  0.4591  1
  In  In1  2  0.2203  0.0000  0.7813  1
  Pb  Pb2  2  0.2765  0.5000  0.3134  1
  Pb  Pb3  2  0.4797  0.5000  0.9462  1
]