data_[Li2Ta4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6275]
_cell_length_b [2.9919]
_cell_length_c [5.4790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiTa2Pb]
_chemical_formula_sum '[Li2 Ta4 Pb2]'
_cell_volume [156.3274]
_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
[
  Li  Li0  2  0.4989  0.0000  0.4830  1
  Ta  Ta1  2  0.2599  0.0000  0.7769  1
  Ta  Ta2  2  0.4952  0.5000  0.9634  1
  Pb  Pb3  2  0.2461  0.5000  0.2768  1
]