data_[In4Cl1F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5667]
_cell_length_b [7.1370]
_cell_length_c [18.2479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In4ClF3]
_chemical_formula_sum '[In4 Cl1 F3]'
_cell_volume [724.9893]
_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
[
  In  In0  2  0.2063  0.2505  0.4149  1
  In  In1  1  0.6918  0.5000  0.5694  1
  In  In2  1  0.9018  0.0000  0.5929  1
  Cl  Cl3  1  0.4124  0.0000  0.5224  1
  F  F4  2  0.9257  0.2654  0.5069  1
  F  F5  1  0.4167  0.5000  0.4717  1
]