data_[Ga2Sn2Ir2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5877]
_cell_length_b [3.9682]
_cell_length_c [5.1281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaSnIrS2]
_chemical_formula_sum '[Ga2 Sn2 Ir2 S4]'
_cell_volume [204.0764]
_cell_formula_units_Z [2]
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
[
  Ga  Ga0  2  0.2235  0.0000  0.7813  1.0
  Sn  Sn1  2  0.3819  0.5000  0.3412  1.0
  Ir  Ir2  2  0.4510  0.0000  0.0944  1.0
  S  S3  2  0.0149  0.0000  0.8575  1.0
  S  S4  2  0.1667  0.5000  0.4629  1.0
]