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 [5.5833]
_cell_length_b [5.6988]
_cell_length_c [7.2332]
_cell_angle_alpha [83.7460]
_cell_angle_beta [86.1475]
_cell_angle_gamma [80.3573]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCrIn2F8]
_chemical_formula_sum '[Ba1 Cr1 In2 F8]'
_cell_volume [225.2630]
_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  1.0
  Cr  Cr1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.4130  0.4149  0.1742  1.0
  F  F3  2  0.0979  0.2596  0.1365  1.0
  F  F4  2  0.1665  0.7700  0.2040  1.0
  F  F5  2  0.3053  0.3542  0.4519  1.0
  F  F6  2  0.3279  0.9121  0.7717  1.0
]