data_[Cr1In1Sb1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0678]
_cell_length_b [5.7753]
_cell_length_c [6.1668]
_cell_angle_alpha [114.7427]
_cell_angle_beta [90.5283]
_cell_angle_gamma [90.1110]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CrInSbF6]
_chemical_formula_sum '[Cr1 In1 Sb1 F6]'
_cell_volume [163.9084]
_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  0.5073  0.3142  0.6630  1.0
  In  In1  1  0.9766  0.9913  0.9780  1.0
  Sb  Sb2  1  0.4484  0.6619  0.3159  1.0
  F  F3  1  0.3032  0.3080  0.2879  1.0
  F  F4  1  0.3116  0.5944  0.9274  1.0
  F  F5  1  0.3186  0.0499  0.7299  1.0
  F  F6  1  0.6763  0.5863  0.5679  1.0
  F  F7  1  0.7118  0.0089  0.4256  1.0
  F  F8  1  0.7462  0.4850  0.1044  1.0
]