data_[K2Er2Tl4F12]
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 [P2_1/c]
_cell_length_a [6.4967]
_cell_length_b [6.7344]
_cell_length_c [11.3281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KErTl2F6]
_chemical_formula_sum '[K2 Er2 Tl4 F12]'
_cell_volume [408.1783]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.0000  1.0
  Er  Er1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2624  0.5396  0.7531  1.0
  F  F3  4  0.1261  0.5414  0.2224  1.0
  F  F4  4  0.2248  0.2315  0.0571  1.0
  F  F5  4  0.3180  0.6721  0.0409  1.0
]