data_[In4Ga2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9202]
_cell_length_b [10.7893]
_cell_length_c [8.3310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In2GaI5]
_chemical_formula_sum '[In4 Ga2 I10]'
_cell_volume [882.6640]
_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
[
  In  In0  4  0.1210  0.2064  0.5663  1.0
  Ga  Ga1  2  0.4367  0.5000  0.8682  1.0
  I  I2  4  0.4041  0.3021  0.0130  1.0
  I  I3  2  0.1785  0.0000  0.9376  1.0
  I  I4  2  0.2625  0.5000  0.4905  1.0
  I  I5  2  0.2968  0.0000  0.5440  1.0
]