data_[Cr1Ga2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9561]
_cell_length_b [5.2204]
_cell_length_c [5.6145]
_cell_angle_alpha [95.1250]
_cell_angle_beta [93.1760]
_cell_angle_gamma [112.9620]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrGa2F6]
_chemical_formula_sum '[Cr1 Ga2 F6]'
_cell_volume [132.5695]
_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  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  2  0.3437  0.5748  0.6229  1.0
  F  F2  2  0.0682  0.7399  0.6107  1.0
  F  F3  2  0.2017  0.3821  0.8860  1.0
  F  F4  2  0.3790  0.0765  0.2040  1.0
]