data_[Pm4Y2Th6Se12]
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 [7.1964]
_cell_length_b [12.2478]
_cell_length_c [7.4083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm2Y(ThSe2)3]
_chemical_formula_sum '[Pm4 Y2 Th6 Se12]'
_cell_volume [620.2609]
_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  0.0000  0.3344  0.0000  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Th  Th2  4  0.0000  0.1717  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2428  0.1634  0.2396  1
  Se  Se5  4  0.2439  0.0000  0.7535  1
]