data_[K6Er3Tl3F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.5574]
_cell_length_b [6.5574]
_cell_length_c [16.8728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2ErTlF6]
_chemical_formula_sum '[K6 Er3 Tl3 F18]'
_cell_volume [628.3122]
_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
[
  K  K0  3  0.0000  0.0000  0.4644  1.0
  K  K1  3  0.0000  0.0000  0.9734  1.0
  Er  Er2  3  0.0000  0.0000  0.6803  1.0
  Tl  Tl3  3  0.0000  0.0000  0.1933  1.0
  F  F4  9  0.0311  0.4024  0.4111  1.0
  F  F5  9  0.0835  0.6814  0.2647  1.0
]