data_[K6As2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.8921]
_cell_length_b [6.8347]
_cell_length_c [6.2514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K3AsO4]
_chemical_formula_sum '[K6 As2 O8]'
_cell_volume [337.2026]
_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  0.2421  0.6799  0.0082  1.0
  K  K1  2  0.0000  0.8605  0.5116  1.0
  As  As2  2  0.0000  0.1842  0.9986  1.0
  O  O3  4  0.1808  0.3019  0.0908  1.0
  O  O4  2  0.0000  0.1921  0.7223  1.0
  O  O5  2  0.0000  0.9430  0.0847  1.0
]