data_[Rb6Nd3Ga3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.8111]
_cell_length_b [8.8111]
_cell_length_c [21.9230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Rb2NdGaI6]
_chemical_formula_sum '[Rb6 Nd3 Ga3 I18]'
_cell_volume [1473.9830]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.4595  1.0
  Rb  Rb1  3  0.0000  0.0000  0.9659  1.0
  Nd  Nd2  3  0.0000  0.0000  0.6787  1.0
  Ga  Ga3  3  0.0000  0.0000  0.1824  1.0
  I  I4  9  0.0062  0.4169  0.4243  1.0
  I  I5  9  0.0856  0.7340  0.2596  1.0
]