data_[K1Er1Sn1F6]
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
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [6.5014]
_cell_length_b [6.5014]
_cell_length_c [3.5713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [KErSnF6]
_chemical_formula_sum '[K1 Er1 Sn1 F6]'
_cell_volume [130.7323]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.1779  1
  Er  Er1  1  0.0000  0.0000  0.7174  1
  Sn  Sn2  1  0.6667  0.3333  0.3313  1
  F  F3  3  0.0069  0.7738  0.2183  1
  F  F4  3  0.3786  0.0324  0.7062  1
]