data_[Li20Pm12Pt8]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.4976]
_cell_length_b [13.0950]
_cell_length_c [5.8520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Li5Pm3Pt2]
_chemical_formula_sum '[Li20 Pm12 Pt8]'
_cell_volume [881.0745]
_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  8  0.1224  0.3558  0.0000  1
  Li  Li1  8  0.2430  0.5000  0.2500  1
  Li  Li2  4  0.0000  0.5000  0.2500  1
  Pm  Pm3  8  0.1246  0.2440  0.5000  1
  Pm  Pm4  4  0.0000  0.0000  0.2500  1
  Pt  Pt5  8  0.1402  0.1597  0.0000  1
]