data_[Rb9Lu3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Lu  1.2700  1.7500  1.0010
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6012]
_cell_length_b [7.6012]
_cell_length_c [23.0070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb3LuCl6]
_chemical_formula_sum '[Rb9 Lu3 Cl18]'
_cell_volume [1151.2137]
_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  6  0.0000  0.0000  0.7106  1.0
  Rb  Rb1  3  -0.0000  -0.0000  0.5000  1.0
  Lu  Lu2  3  -0.0000  -0.0000  0.0000  1.0
  Cl  Cl3  18  0.0118  0.5059  0.7316  1.0
]