data_[Ge1Ir1Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8122]
_cell_length_b [4.8122]
_cell_length_c [4.8122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [GeIrCl3]
_chemical_formula_sum '[Ge1 Ir1 Cl3]'
_cell_volume [111.4366]
_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
[
  Ge  Ge0  1  0.5000  0.5000  0.5000  1
  Ir  Ir1  1  0.0000  0.0000  0.0000  1
  Cl  Cl2  3  0.0000  0.0000  0.5000  1
]