data_[Cs12As4O16]
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 [Pnma]
_cell_length_a [12.4891]
_cell_length_b [9.0006]
_cell_length_c [6.5907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cs3AsO4]
_chemical_formula_sum '[Cs12 As4 O16]'
_cell_volume [740.8610]
_cell_formula_units_Z [4]
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  8  0.1452  0.5063  0.3107  1
  Cs  Cs1  4  0.0764  0.7500  0.8540  1
  As  As2  4  0.1135  0.2500  0.7273  1
  O  O3  8  0.1079  0.0921  0.8762  1
  O  O4  4  0.0069  0.2500  0.5584  1
  O  O5  4  0.2308  0.2500  0.5871  1
]