data_[Er3In6Ga3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [8.4626]
_cell_length_b [8.4626]
_cell_length_c [21.7889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [ErIn2GaI6]
_chemical_formula_sum '[Er3 In6 Ga3 I18]'
_cell_volume [1351.3627]
_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
[
  Er  Er0  3  0.0000  0.0000  0.6751  1.0
  In  In1  3  0.0000  0.0000  0.4751  1.0
  In  In2  3  0.0000  0.0000  0.9827  1.0
  Ga  Ga3  3  0.0000  0.0000  0.1813  1.0
  I  I4  9  0.0117  0.4027  0.4180  1.0
  I  I5  9  0.0687  0.7060  0.2566  1.0
]