data_[Cs4As4O12]
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 [Pbcm]
_cell_length_a [5.9370]
_cell_length_b [12.5946]
_cell_length_c [5.4608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [CsAsO3]
_chemical_formula_sum '[Cs4 As4 O12]'
_cell_volume [408.3287]
_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  4  0.0848  0.6016  0.7500  1.0
  As  As1  4  0.4395  0.1683  0.2500  1.0
  O  O2  4  0.1581  0.1611  0.2500  1.0
  O  O3  4  0.3941  0.5617  0.2500  1.0
  O  O4  4  0.4527  0.7500  0.0000  1.0
]