data_[Cs1Cr2H2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4062]
_cell_length_b [5.4636]
_cell_length_c [6.5863]
_cell_angle_alpha [92.2914]
_cell_angle_beta [100.7118]
_cell_angle_gamma [115.3226]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsCr2(HO3)2]
_chemical_formula_sum '[Cs1 Cr2 H2 O6]'
_cell_volume [171.2141]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Cr  Cr1  2  0.4758  0.2474  0.9098  1
  H  H2  2  0.0434  0.7702  0.9689  1
  O  O3  2  0.2499  0.8590  0.9569  1
  O  O4  2  0.2627  0.3728  0.0241  1
  O  O5  2  0.3971  0.1973  0.6526  1
]