data_[Zn1Cr2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1180]
_cell_length_b [5.3510]
_cell_length_c [8.9614]
_cell_angle_alpha [74.1794]
_cell_angle_beta [89.5383]
_cell_angle_gamma [62.1052]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZnCr2F12]
_chemical_formula_sum '[Zn1 Cr2 F12]'
_cell_volume [206.6162]
_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
[
  Zn  Zn0  1  0.5000  0.0000  0.5000  1.0
  Cr  Cr1  2  0.2321  0.4973  0.7565  1.0
  F  F2  2  0.0116  0.7412  0.8570  1.0
  F  F3  2  0.0553  0.2570  0.4246  1.0
  F  F4  2  0.0728  0.2668  0.7953  1.0
  F  F5  2  0.4135  0.7298  0.6852  1.0
  F  F6  2  0.4691  0.2709  0.6318  1.0
  F  F7  2  0.4904  0.7217  0.0803  1.0
]