data_[Pr2Cr2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0893]
_cell_length_b [6.0333]
_cell_length_c [5.8455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrCrF6]
_chemical_formula_sum '[Pr2 Cr2 F12]'
_cell_volume [292.0800]
_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  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0426  0.2285  0.2692  1.0
  F  F3  4  0.2275  0.0000  0.1402  1.0
]