data_[Cr5F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0067]
_cell_length_b [6.5814]
_cell_length_c [20.2899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [117.0921]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr5F12]
_chemical_formula_sum '[Cr5 F12]'
_cell_volume [714.1049]
_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  0.0036  0.5232  0.4290  1
  Cr  Cr1  1  0.2730  0.6871  0.6293  1
  Cr  Cr2  1  0.5044  0.5231  0.4298  1
  Cr  Cr3  1  0.5049  0.0231  0.4290  1
  Cr  Cr4  1  0.5436  0.2282  0.6292  1
  F  F5  1  0.1696  0.8226  0.3904  1
  F  F6  1  0.2013  0.9576  0.6325  1
  F  F7  1  0.2056  0.4240  0.3747  1
  F  F8  1  0.3001  0.6188  0.4875  1
  F  F9  1  0.3737  0.2247  0.4694  1
  F  F10  1  0.4106  0.4592  0.6324  1
  F  F11  1  0.6141  0.9573  0.6213  1
  F  F12  1  0.6373  0.8209  0.3903  1
  F  F13  1  0.7053  0.4274  0.3718  1
  F  F14  1  0.8042  0.6218  0.4841  1
  F  F15  1  0.8397  0.2243  0.4674  1
  F  F16  1  0.9090  0.4566  0.6321  1
]