data_[Y3In6Ga3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [R3]
_cell_length_a [8.4745]
_cell_length_b [8.4745]
_cell_length_c [21.8890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [YIn2GaI6]
_chemical_formula_sum '[Y3 In6 Ga3 I18]'
_cell_volume [1361.3893]
_cell_formula_units_Z [3]
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
[
  Y  Y0  3  0.0000  0.0000  0.6753  1.0
  In  In1  3  0.0000  0.0000  0.4757  1.0
  In  In2  3  0.0000  0.0000  0.9832  1.0
  Ga  Ga3  3  0.0000  0.0000  0.1814  1.0
  I  I4  9  0.0094  0.3996  0.4182  1.0
  I  I5  9  0.0663  0.7045  0.2561  1.0
]