data_[Cs4Ba4As4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1023]
_cell_length_b [11.0138]
_cell_length_c [7.9764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsBaAsO4]
_chemical_formula_sum '[Cs4 Ba4 As4 O16]'
_cell_volume [623.9371]
_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  0.0000  0.5000  0.0000  1
  Ba  Ba1  4  0.0000  0.1668  0.7500  1
  As  As2  4  0.0000  0.1395  0.2500  1
  O  O3  8  0.0000  0.2295  0.0733  1
  O  O4  8  0.1927  0.0422  0.2500  1
]