data_[Cs4Ba2Cr2O8]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6542]
_cell_length_b [7.9581]
_cell_length_c [6.4448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Cs2BaCrO4]
_chemical_formula_sum '[Cs4 Ba2 Cr2 O8]'
_cell_volume [392.5769]
_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  0.2424  0.3412  0.0182  1.0
  Ba  Ba1  2  0.0000  0.1134  0.5039  1.0
  Cr  Cr2  2  0.0000  0.8329  0.9982  1.0
  O  O3  4  0.2004  0.7215  0.0669  1.0
  O  O4  2  0.0000  0.0422  0.1108  1.0
  O  O5  2  0.0000  0.8519  0.7170  1.0
]