data_[Li2Ca3Bi4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7837]
_cell_length_b [4.7837]
_cell_length_c [17.3076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2Ca3(Bi2Pb)2]
_chemical_formula_sum '[Li2 Ca3 Bi4 Pb2]'
_cell_volume [343.0028]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.1203  1
  Ca  Ca1  2  0.0000  0.0000  0.2297  1
  Ca  Ca2  1  0.0000  0.0000  0.0000  1
  Bi  Bi3  2  0.3333  0.6667  0.3316  1
  Bi  Bi4  2  0.3333  0.6667  0.8870  1
  Pb  Pb5  2  0.3333  0.6667  0.5774  1
]