data_[Pm6Nd2Th4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  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 [7.2703]
_cell_length_b [12.5455]
_cell_length_c [7.3186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3Nd(ThSe3)2]
_chemical_formula_sum '[Pm6 Nd2 Th4 Se12]'
_cell_volume [630.1432]
_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  0.1634  0.5000  1
  Pm  Pm1  2  0.0000  0.5000  0.5000  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Th  Th3  4  0.0000  0.3325  0.0000  1
  Se  Se4  8  0.2476  0.3326  0.7457  1
  Se  Se5  4  0.2482  0.5000  0.2501  1
]