data_[Pm8Se4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1620]
_cell_length_b [3.8994]
_cell_length_c [7.9711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm2SeF3]
_chemical_formula_sum '[Pm8 Se4 F12]'
_cell_volume [424.3463]
_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  4  0.0223  0.5000  0.2239  1
  Pm  Pm1  4  0.2075  0.0000  0.6963  1
  Se  Se2  4  0.1320  0.0000  0.0636  1
  F  F3  4  0.0613  0.0000  0.4171  1
  F  F4  4  0.1166  0.5000  0.7091  1
  F  F5  4  0.1923  0.5000  0.4721  1
]