data_[Pm2Th4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P4_2/mnm]
_cell_length_a [6.8320]
_cell_length_b [6.8320]
_cell_length_c [13.2226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Pm(ThSe3)2]
_chemical_formula_sum '[Pm2 Th4 Se12]'
_cell_volume [617.1909]
_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  2  0.0000  0.0000  0.5000  1
  Th  Th1  4  0.0000  0.0000  0.1672  1
  Se  Se2  8  0.1992  0.8008  0.3321  1
  Se  Se3  4  0.1952  0.8048  0.0000  1
]