data_[Cr40In24Cl96]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [16.2731]
_cell_length_b [16.2731]
_cell_length_c [16.2731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Cr5(InCl4)3]
_chemical_formula_sum '[Cr40 In24 Cl96]'
_cell_volume [4309.3497]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.3750  1
  Cr  Cr1  16  0.0000  0.0000  0.0000  1
  In  In2  24  0.0000  0.2500  0.1250  1
  Cl  Cl3  96  0.0337  0.4538  0.1425  1
]