data_[K8Er24F80]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2332]
_cell_length_b [11.2332]
_cell_length_c [11.2332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [KEr3F10]
_chemical_formula_sum '[K8 Er24 F80]'
_cell_volume [1417.4566]
_cell_formula_units_Z [8]
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  8  0.2500  0.2500  0.2500  1
  Er  Er1  24  0.0000  0.0000  0.2604  1
  F  F2  48  0.0000  0.1672  0.1672  1
  F  F3  32  0.1133  0.1133  0.3867  1
]