data_[Pr1Fe2W1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4865]
_cell_length_b [5.5103]
_cell_length_c [5.8088]
_cell_angle_alpha [61.8449]
_cell_angle_beta [89.0484]
_cell_angle_gamma [60.8841]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PrFe2WO6]
_chemical_formula_sum '[Pr1 Fe2 W1 O6]'
_cell_volume [129.9949]
_cell_formula_units_Z [1]
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  1  0.1919  0.6104  0.5887  1.0
  Fe  Fe1  1  0.4744  0.0377  0.4239  1.0
  Fe  Fe2  1  0.9818  0.0395  0.9511  1.0
  W  W3  1  0.6782  0.6346  0.0415  1.0
  O  O4  1  0.0562  0.1893  0.2282  1.0
  O  O5  1  0.2958  0.0855  0.7605  1.0
  O  O6  1  0.4244  0.5246  0.2344  1.0
  O  O7  1  0.6248  0.5225  0.7673  1.0
  O  O8  1  0.7611  0.8252  0.2434  1.0
  O  O9  1  0.8499  0.8539  0.7761  1.0
]