data_[Pm8Sb4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6560]
_cell_length_b [14.3134]
_cell_length_c [13.6822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm2SbSe5]
_chemical_formula_sum '[Pm8 Sb4 Se20]'
_cell_volume [1107.6663]
_cell_formula_units_Z [4]
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  8  0.0000  0.1598  0.5696  1
  Sb  Sb1  4  0.0000  0.1643  0.2500  1
  Se  Se2  8  0.0000  0.0412  0.1036  1
  Se  Se3  8  0.0000  0.2986  0.0907  1
  Se  Se4  4  0.0000  0.2810  0.7500  1
]