data_[Tb1Pm3Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7691]
_cell_length_b [4.7691]
_cell_length_c [18.8113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tb(PmSn4)3]
_chemical_formula_sum '[Tb1 Pm3 Sn12]'
_cell_volume [427.8516]
_cell_formula_units_Z [1]
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
[
  Tb  Tb0  1  0.0000  0.0000  0.0000  1
  Pm  Pm1  2  0.0000  0.0000  0.2490  1
  Pm  Pm2  1  0.0000  0.0000  0.5000  1
  Sn  Sn3  4  0.0000  0.5000  0.1227  1
  Sn  Sn4  4  0.0000  0.5000  0.3743  1
  Sn  Sn5  2  0.5000  0.5000  0.2486  1
  Sn  Sn6  1  0.5000  0.5000  0.0000  1
  Sn  Sn7  1  0.5000  0.5000  0.5000  1
]