data_[Li4Pm12Sn12]
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 [C2/m]
_cell_length_a [11.6187]
_cell_length_b [4.6582]
_cell_length_c [15.1312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(PmSn)3]
_chemical_formula_sum '[Li4 Pm12 Sn12]'
_cell_volume [771.3083]
_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  0.2409  0.0000  0.4016  1
  Pm  Pm1  4  0.0365  0.5000  0.3845  1
  Pm  Pm2  4  0.0958  0.5000  0.9202  1
  Pm  Pm3  4  0.2437  0.5000  0.2234  1
  Sn  Sn4  4  0.0331  0.0000  0.2360  1
  Sn  Sn5  4  0.1283  0.0000  0.0751  1
  Sn  Sn6  4  0.1340  0.0000  0.5519  1
]