data_[Cr4O3F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0470]
_cell_length_b [5.3166]
_cell_length_c [8.8623]
_cell_angle_alpha [72.8879]
_cell_angle_beta [89.5897]
_cell_angle_gamma [61.7916]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr4(OF3)3]
_chemical_formula_sum '[Cr4 O3 F9]'
_cell_volume [197.8111]
_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
[
  Cr  Cr0  1  0.2712  0.4865  0.7567  1.0
  Cr  Cr1  1  0.5104  0.0075  0.4981  1.0
  Cr  Cr2  1  0.7435  0.5049  0.2483  1.0
  Cr  Cr3  1  0.9699  0.0039  0.9946  1.0
  O  O4  1  0.6745  0.2655  0.4055  1.0
  O  O5  1  0.6902  0.2337  0.8166  1.0
  O  O6  1  0.8216  0.7425  0.0916  1.0
  F  F7  1  0.1808  0.2415  0.9364  1.0
  F  F8  1  0.1824  0.2422  0.3143  1.0
  F  F9  1  0.2428  0.7409  0.8823  1.0
  F  F10  1  0.2640  0.2533  0.6234  1.0
  F  F11  1  0.3100  0.7664  0.1814  1.0
  F  F12  1  0.3221  0.7540  0.5700  1.0
  F  F13  1  0.7394  0.2706  0.1153  1.0
  F  F14  1  0.7519  0.7353  0.3815  1.0
  F  F15  1  0.8253  0.7510  0.6841  1.0
]