data_[K1Cr2In1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2483]
_cell_length_b [7.3321]
_cell_length_c [7.1408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KCr2InCl8]
_chemical_formula_sum '[K1 Cr2 In1 Cl8]'
_cell_volume [326.8808]
_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
[
  K  K0  1  0.0000  0.5000  0.0000  1
  Cr  Cr1  2  0.5000  0.2497  0.5000  1
  In  In2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.3118  0.2490  0.2125  1
  Cl  Cl4  2  0.2823  0.0000  0.6053  1
  Cl  Cl5  2  0.2828  0.5000  0.6049  1
]