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 [5.1020]
_cell_length_b [5.3360]
_cell_length_c [8.7807]
_cell_angle_alpha [105.3006]
_cell_angle_beta [90.3196]
_cell_angle_gamma [118.2149]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr4OF11]
_chemical_formula_sum '[Cr4 O1 F11]'
_cell_volume [200.7746]
_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  0.0006  0.9991  0.0002  1.0
  Cr  Cr1  1  0.2519  0.5033  0.7476  1.0
  Cr  Cr2  1  0.5013  0.0172  0.4917  1.0
  Cr  Cr3  1  0.7495  0.4951  0.2536  1.0
  O  O4  1  0.4990  0.2395  0.3807  1.0
  F  F5  1  0.0099  0.2521  0.8739  1.0
  F  F6  1  0.0665  0.7509  0.8150  1.0
  F  F7  1  0.0696  0.7480  0.4367  1.0
  F  F8  1  0.4330  0.2473  0.0691  1.0
  F  F9  1  0.4351  0.2472  0.6829  1.0
  F  F10  1  0.4920  0.7564  0.6218  1.0
  F  F11  1  0.5664  0.7517  0.3197  1.0
  F  F12  1  0.5669  0.7490  0.9321  1.0
  F  F13  1  0.9318  0.2494  0.5640  1.0
  F  F14  1  0.9338  0.2462  0.1849  1.0
  F  F15  1  0.9929  0.7475  0.1259  1.0
]