data_[Pm4Y6Th2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  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 [18.1541]
_cell_length_b [4.1196]
_cell_length_c [8.3437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm2Y3ThSe6]
_chemical_formula_sum '[Pm4 Y6 Th2 Se12]'
_cell_volume [604.1645]
_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
[
  Pm  Pm0  4  0.1638  0.0000  0.3280  1
  Y  Y1  4  0.1658  0.0000  0.8341  1
  Y  Y2  2  0.0000  0.5000  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0032  0.0000  0.7418  1
  Se  Se5  4  0.1660  0.5000  0.5886  1
  Se  Se6  4  0.1704  0.5000  0.0772  1
]