data_[Cr3In5Cl12]
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 [P-62m]
_cell_length_a [12.8811]
_cell_length_b [12.8811]
_cell_length_c [3.8479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Cr3In5Cl12]
_chemical_formula_sum '[Cr3 In5 Cl12]'
_cell_volume [552.9224]
_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
[
  Cr  Cr0  3  0.0000  0.3355  0.5000  1
  In  In1  3  0.0000  0.7199  0.0000  1
  In  In2  2  0.3333  0.6667  0.0000  1
  Cl  Cl3  6  0.2125  0.4378  0.5000  1
  Cl  Cl4  3  0.0000  0.2063  0.0000  1
  Cl  Cl5  3  0.0000  0.4637  0.0000  1
]