data_[K4As2O7]
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 [P-3m1]
_cell_length_a [5.9023]
_cell_length_b [5.9023]
_cell_length_c [7.5485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K4As2O7]
_chemical_formula_sum '[K4 As2 O7]'
_cell_volume [227.7360]
_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  2  0.3333  0.6667  0.0585  1
  K  K1  2  0.3333  0.6667  0.5437  1
  As  As2  2  0.0000  0.0000  0.2596  1
  O  O3  6  0.1612  0.3224  0.7907  1
  O  O4  1  0.0000  0.0000  0.5000  1
]