data_[Cs1Mo1H2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6439]
_cell_length_b [6.6668]
_cell_length_c [9.5388]
_cell_angle_alpha [74.3874]
_cell_angle_beta [74.1161]
_cell_angle_gamma [74.4273]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsMo(HCl4)2]
_chemical_formula_sum '[Cs1 Mo1 H2 Cl8]'
_cell_volume [382.6278]
_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  0.0000  0.5000  1
  Mo  Mo1  1  0.0000  0.0000  0.0000  1
  H  H2  2  0.2759  0.5403  0.2347  1
  Cl  Cl3  2  0.2088  0.6509  0.0146  1
  Cl  Cl4  2  0.2196  0.1080  0.7656  1
  Cl  Cl5  2  0.2269  0.0847  0.1144  1
  Cl  Cl6  2  0.3016  0.4706  0.3732  1
]