data_[Na2Pm4Th6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [18.4228]
_cell_length_b [4.1636]
_cell_length_c [8.4817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaPm2(ThSe2)3]
_chemical_formula_sum '[Na2 Pm4 Th6 Se12]'
_cell_volume [628.4623]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1
  Pm  Pm1  4  0.1700  0.0000  0.3348  1
  Th  Th2  4  0.1687  0.0000  0.8319  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0002  0.0000  0.2461  1
  Se  Se5  4  0.1618  0.5000  0.0799  1
  Se  Se6  4  0.1659  0.5000  0.5783  1
]