data_[Li8Pm12Sn12]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6100]
_cell_length_b [11.6332]
_cell_length_c [15.4980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2(PmSn)3]
_chemical_formula_sum '[Li8 Pm12 Sn12]'
_cell_volume [831.1559]
_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  0.0000  0.2173  0.0881  1
  Pm  Pm1  8  0.0000  0.0808  0.6131  1
  Pm  Pm2  4  0.0000  0.3653  0.7500  1
  Sn  Sn3  8  0.0000  0.3897  0.5449  1
  Sn  Sn4  4  0.0000  0.3368  0.2500  1
]