data_[Rb18Ho6Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ho  1.2300  1.7500  1.0410
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.8237]
_cell_length_b [13.8237]
_cell_length_c [16.1487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Rb3HoBr6]
_chemical_formula_sum '[Rb18 Ho6 Br36]'
_cell_volume [2672.5056]
_cell_formula_units_Z [6]
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  18  0.0471  0.2730  0.6995  1
  Ho  Ho1  3  0.0000  0.0000  0.0000  1
  Ho  Ho2  3  0.0000  0.0000  0.5000  1
  Br  Br3  18  0.0237  0.1792  0.9024  1
  Br  Br4  18  0.0303  0.1790  0.3997  1
]