data_[Cr8H4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [11.4614]
_cell_length_b [3.6760]
_cell_length_c [7.3720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr2HO3]
_chemical_formula_sum '[Cr8 H4 O12]'
_cell_volume [279.0472]
_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
[
  Cr  Cr0  4  0.0437  0.5000  0.7350  1
  Cr  Cr1  4  0.2155  0.0000  0.6436  1
  H  H2  4  0.1799  0.0000  0.0302  1
  O  O3  4  0.0783  0.0000  0.7417  1
  O  O4  4  0.1459  0.5000  0.4517  1
  O  O5  4  0.2356  0.0000  0.1779  1
]