data_[K6Zr12As18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [9.2537]
_cell_length_b [9.2537]
_cell_length_c [24.9322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [KZr2(AsO4)3]
_chemical_formula_sum '[K6 Zr12 As18 O72]'
_cell_volume [1848.9471]
_cell_formula_units_Z [6]
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  0.0000  1
  Zr  Zr1  12  0.0000  0.0000  0.1477  1
  As  As2  18  0.0000  0.2844  0.7500  1
  O  O3  36  0.0276  0.1903  0.4057  1
  O  O4  36  0.0444  0.2051  0.6946  1
]