data_[Pr10Se10O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4189]
_cell_length_b [4.0245]
_cell_length_c [11.3615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5Se5O2]
_chemical_formula_sum '[Pr10 Se10 O4]'
_cell_volume [592.7175]
_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
[
  Pr  Pr0  4  0.0994  0.0000  0.3755  1
  Pr  Pr1  4  0.1584  0.5000  0.7947  1
  Pr  Pr2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.1658  0.5000  0.0648  1
  Se  Se4  4  0.2392  0.0000  0.6377  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  O  O6  4  0.0412  0.0000  0.7985  1
]