data_[Cr4O1F11]
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 [5.5006]
_cell_length_b [5.5332]
_cell_length_c [9.3165]
_cell_angle_alpha [80.6598]
_cell_angle_beta [77.7477]
_cell_angle_gamma [64.5382]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr4OF11]
_chemical_formula_sum '[Cr4 O1 F11]'
_cell_volume [249.3682]
_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  0.0033  0.0006  0.0012  1
  Cr  Cr1  1  0.2537  0.7523  0.7482  1
  Cr  Cr2  1  0.5038  0.5015  0.4957  1
  Cr  Cr3  1  0.7487  0.2537  0.2529  1
  O  O4  1  0.7821  0.5096  0.3462  1
  F  F5  1  0.1285  0.0210  0.1808  1
  F  F6  1  0.2040  0.4882  0.6544  1
  F  F7  1  0.2142  0.6211  0.9583  1
  F  F8  1  0.2918  0.8805  0.5366  1
  F  F9  1  0.3013  0.0161  0.8458  1
  F  F10  1  0.3613  0.4733  0.3244  1
  F  F11  1  0.6337  0.5192  0.6724  1
  F  F12  1  0.7026  0.1154  0.4621  1
  F  F13  1  0.7073  0.9809  0.1551  1
  F  F14  1  0.7889  0.3812  0.0433  1
  F  F15  1  0.8747  0.9855  0.8226  1
]