data_[Cr4B4Cl4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2911]
_cell_length_b [7.2271]
_cell_length_c [7.9342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrBClF4]
_chemical_formula_sum '[Cr4 B4 Cl4 F16]'
_cell_volume [460.6164]
_cell_formula_units_Z [4]
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  4  0.2030  0.0000  0.1883  1.0
  B  B1  4  0.1142  0.5000  0.3057  1.0
  Cl  Cl2  4  0.0663  0.0000  0.8419  1.0
  F  F3  8  0.1735  0.3404  0.2644  1.0
  F  F4  4  0.0671  0.5000  0.8039  1.0
  F  F5  4  0.1590  0.5000  0.5092  1.0
]