data_[Li9Mg15Bi9Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8927]
_cell_length_b [4.8927]
_cell_length_c [47.0140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li3Mg5Bi3Pb]
_chemical_formula_sum '[Li9 Mg15 Bi9 Pb3]'
_cell_volume [974.6750]
_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
[
  Li  Li0  3  0.0000  0.0000  0.1251  1.0
  Li  Li1  3  0.0000  0.0000  0.3751  1.0
  Li  Li2  3  0.0000  0.0000  0.8750  1.0
  Mg  Mg3  3  0.0000  0.0000  0.0001  1.0
  Mg  Mg4  3  0.0000  0.0000  0.2504  1.0
  Mg  Mg5  3  0.0000  0.0000  0.4995  1.0
  Mg  Mg6  3  0.0000  0.0000  0.6256  1.0
  Mg  Mg7  3  0.0000  0.0000  0.7498  1.0
  Bi  Bi8  3  0.0000  0.0000  0.0625  1.0
  Bi  Bi9  3  0.0000  0.0000  0.5619  1.0
  Bi  Bi10  3  0.0000  0.0000  0.8126  1.0
  Pb  Pb11  3  0.0000  0.0000  0.3124  1.0
]