data_[La3Re6Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Re  1.9000  1.3500  0.7125
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3220]
_cell_length_b [4.3220]
_cell_length_c [18.3107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LaRe2Pb]
_chemical_formula_sum '[La3 Re6 Pb3]'
_cell_volume [296.2138]
_cell_formula_units_Z [3]
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
[
  La  La0  3  0.0000  0.0000  0.4876  1
  Re  Re1  3  0.0000  0.0000  0.0240  1
  Re  Re2  3  0.0000  0.0000  0.7109  1
  Pb  Pb3  3  0.0000  0.0000  0.2771  1
]