data_[Rb3Nd3Tl6F18]
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
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8743]
_cell_length_b [6.8743]
_cell_length_c [17.0191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbNdTl2F6]
_chemical_formula_sum '[Rb3 Nd3 Tl6 F18]'
_cell_volume [696.4973]
_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  0.4929  1.0
  Nd  Nd1  3  0.0000  0.0000  0.0012  1.0
  Tl  Tl2  3  0.0000  0.0000  0.2215  1.0
  Tl  Tl3  3  0.0000  0.0000  0.7198  1.0
  F  F4  9  0.0151  0.2603  0.0917  1.0
  F  F5  9  0.0734  0.7255  0.6041  1.0
]