data_[Rb3Er3Tl6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.2280]
_cell_length_b [8.2280]
_cell_length_c [21.2445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbEr(TlBr3)2]
_chemical_formula_sum '[Rb3 Er3 Tl6 Br18]'
_cell_volume [1245.5626]
_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  0.8140  1.0
  Er  Er1  3  0.0000  0.0000  0.3243  1.0
  Tl  Tl2  3  0.0000  0.0000  0.0167  1.0
  Tl  Tl3  3  0.0000  0.0000  0.5272  1.0
  Br  Br4  9  0.0069  0.7351  0.4069  1.0
  Br  Br5  9  0.0691  0.3641  0.9196  1.0
]