data_[Cs6In2H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6424]
_cell_length_b [6.6389]
_cell_length_c [6.9774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3InH6]
_chemical_formula_sum '[Cs6 In2 H12]'
_cell_volume [451.5857]
_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  0.2400  0.5000  0.2300  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  H  H3  8  0.0420  0.2119  0.8468  1.0
  H  H4  4  0.1980  0.0000  0.2638  1.0
]