data_[Cr2H8Cl4O4]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7854]
_cell_length_b [8.4340]
_cell_length_c [3.8969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrH4(ClO)2]
_chemical_formula_sum '[Cr2 H8 Cl4 O4]'
_cell_volume [264.9368]
_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
[
  Cr  Cr0  2  0.0000  0.0000  0.0000  1.0
  H  H1  8  0.0941  0.3134  0.1486  1.0
  Cl  Cl2  4  0.2255  0.0000  0.6250  1.0
  O  O3  4  0.0000  0.2445  0.0000  1.0
]