data_[Cs1In1Fe1H6]
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
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [4.6059]
_cell_length_b [4.6059]
_cell_length_c [6.5962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [CsInFeH6]
_chemical_formula_sum '[Cs1 In1 Fe1 H6]'
_cell_volume [121.1848]
_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  0.0000  1.0
  In  In1  1  0.3333  0.6667  0.5000  1.0
  Fe  Fe2  1  0.6667  0.3333  0.5000  1.0
  H  H3  6  0.3838  0.1052  0.6534  1.0
]