data_[Li12Pm4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pm  1.1300  1.8500  1.1100
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6205]
_cell_length_b [4.7581]
_cell_length_c [9.0627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8147]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3PmPb2]
_chemical_formula_sum '[Li12 Pm4 Pb8]'
_cell_volume [557.6105]
_cell_formula_units_Z [4]
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  4  0.0524  0.0000  0.3830  1
  Li  Li1  4  0.0958  0.5000  0.6795  1
  Li  Li2  4  0.2228  0.5000  0.5400  1
  Pm  Pm3  4  0.1397  0.0000  0.0237  1
  Pb  Pb4  4  0.0449  0.5000  0.1965  1
  Pb  Pb5  4  0.2094  0.0000  0.7254  1
]