data_[Cs6As2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.5490]
_cell_length_b [9.0283]
_cell_length_c [6.8606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cs3AsO4]
_chemical_formula_sum '[Cs6 As2 O8]'
_cell_volume [405.6391]
_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
[
  Cs  Cs0  4  0.0000  0.2405  0.5477  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0550  1.0
  As  As2  2  0.0000  0.5000  0.0024  1.0
  O  O3  4  0.0000  0.3412  0.1445  1.0
  O  O4  4  0.2151  0.5000  0.8546  1.0
]