data_[K2Zr2As2O12]
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 [C2]
_cell_length_a [5.4204]
_cell_length_b [9.6826]
_cell_length_c [5.6914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KZrAsO6]
_chemical_formula_sum '[K2 Zr2 As2 O12]'
_cell_volume [298.5692]
_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  2  0.0000  0.0001  0.0000  1
  Zr  Zr1  2  0.0000  0.3247  0.5000  1
  As  As2  2  0.0000  0.6751  0.5000  1
  O  O3  4  0.1024  0.5167  0.3384  1
  O  O4  4  0.1646  0.7921  0.3104  1
  O  O5  4  0.2197  0.1905  0.3093  1
]