data_[Ba1Cr1In2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5681]
_cell_length_b [5.6124]
_cell_length_c [7.2263]
_cell_angle_alpha [86.4207]
_cell_angle_beta [84.5648]
_cell_angle_gamma [80.9832]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCrIn2F8]
_chemical_formula_sum '[Ba1 Cr1 In2 F8]'
_cell_volume [221.7709]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1
  Cr  Cr1  1  0.0000  0.0000  0.0000  1
  In  In2  2  0.4160  0.4157  0.1755  1
  F  F3  2  0.0859  0.6720  0.2281  1
  F  F4  2  0.2298  0.8334  0.7960  1
  F  F5  2  0.2638  0.0964  0.1375  1
  F  F6  2  0.3557  0.3057  0.4523  1
]