data_[Pr8As6O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.8363]
_cell_length_b [6.0398]
_cell_length_c [6.0377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr4As3O]
_chemical_formula_sum '[Pr8 As6 O2]'
_cell_volume [431.6275]
_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  0.2482  0.2489  0.0647  1.0
  Pr  Pr1  2  0.0000  0.2522  0.6279  1.0
  Pr  Pr2  2  0.0000  0.8140  0.0637  1.0
  As  As3  4  0.2499  0.7482  0.0642  1.0
  As  As4  2  0.0000  0.7524  0.5648  1.0
  O  O5  2  0.0000  0.1878  0.0012  1.0
]