data_[K4Li2Er2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0052]
_cell_length_b [5.9944]
_cell_length_c [10.4120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2LiErF6]
_chemical_formula_sum '[K4 Li2 Er2 F12]'
_cell_volume [305.8619]
_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  4  0.2508  0.5110  0.7493  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Er  Er2  2  0.5000  0.0000  0.0000  1.0
  F  F3  4  0.2099  0.5046  0.2475  1.0
  F  F4  4  0.2442  0.2300  0.0191  1.0
  F  F5  4  0.2892  0.7250  0.0191  1.0
]