data_[K6Er3Zn9F36]
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
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4354]
_cell_length_b [7.4354]
_cell_length_c [18.7497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2ErZn3F12]
_chemical_formula_sum '[K6 Er3 Zn9 F36]'
_cell_volume [897.7025]
_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  6  0.0000  0.0000  0.3696  1.0
  Er  Er1  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  9  0.0000  0.5000  0.5000  1.0
  F  F3  18  0.0396  0.5198  0.6101  1.0
  F  F4  18  0.0735  0.5367  0.8446  1.0
]