data_[Tb4Pm4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7411]
_cell_length_b [4.1354]
_cell_length_c [16.1298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TbPmSe3]
_chemical_formula_sum '[Tb4 Pm4 Se12]'
_cell_volume [516.3556]
_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
[
  Tb  Tb0  4  0.2304  0.7500  0.5426  1
  Pm  Pm1  4  0.1398  0.2500  0.7980  1
  Se  Se2  4  0.0080  0.2500  0.6068  1
  Se  Se3  4  0.1216  0.7500  0.9356  1
  Se  Se4  4  0.1513  0.2500  0.2165  1
]