data_[Pm8Pa4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pa  1.5000  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6970]
_cell_length_b [14.0157]
_cell_length_c [13.9730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm2PaSe5]
_chemical_formula_sum '[Pm8 Pa4 Se20]'
_cell_volume [1115.7121]
_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  0.1464  0.5576  1
  Pa  Pa1  4  0.0000  0.1990  0.2500  1
  Se  Se2  8  0.0000  0.0473  0.1224  1
  Se  Se3  8  0.0000  0.3144  0.0775  1
  Se  Se4  4  0.0000  0.2559  0.7500  1
]