data_[Tb4Pm2Th6Se12]
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
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0939]
_cell_length_b [12.1424]
_cell_length_c [7.4866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Pm(ThSe2)3]
_chemical_formula_sum '[Tb4 Pm2 Th6 Se12]'
_cell_volume [613.4226]
_cell_formula_units_Z [2]
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  0.0000  0.3324  0.0000  1
  Pm  Pm1  2  0.0000  0.0000  0.0000  1
  Th  Th2  4  0.0000  0.1629  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2499  0.1695  0.2402  1
  Se  Se5  4  0.2388  0.5000  0.2352  1
]