data_[Na3Er3Ga6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1431]
_cell_length_b [8.1431]
_cell_length_c [21.6297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaEr(GaI3)2]
_chemical_formula_sum '[Na3 Er3 Ga6 I18]'
_cell_volume [1242.1199]
_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
[
  Na  Na0  3  0.0000  0.0000  0.1802  1.0
  Er  Er1  3  0.0000  0.0000  0.6737  1.0
  Ga  Ga2  3  0.0000  0.0000  0.4846  1.0
  Ga  Ga3  3  0.0000  0.0000  0.9898  1.0
  I  I4  9  0.0062  0.3778  0.4163  1.0
  I  I5  9  0.0454  0.6809  0.2538  1.0
]