data_[Y3In3Ga6Cl18]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.5246]
_cell_length_b [7.5246]
_cell_length_c [19.9630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [YIn(GaCl3)2]
_chemical_formula_sum '[Y3 In3 Ga6 Cl18]'
_cell_volume [978.8764]
_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  0.6764  1
  In  In1  3  0.0000  0.0000  0.1883  1
  Ga  Ga2  3  0.0000  0.0000  0.4800  1
  Ga  Ga3  3  0.0000  0.0000  0.9889  1
  Cl  Cl4  9  0.0115  0.7308  0.5897  1
  Cl  Cl5  9  0.0212  0.3813  0.4115  1
]