data_[Ce12In4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [10.7894]
_cell_length_b [6.7350]
_cell_length_c [8.1095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3InH]
_chemical_formula_sum '[Ce12 In4 H4]'
_cell_volume [447.8711]
_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
[
  Ce  Ce0  8  0.1744  0.2623  0.1278  1.0
  Ce  Ce1  4  0.0597  0.5000  0.3888  1.0
  In  In2  4  0.0435  0.0000  0.3537  1.0
  H  H3  4  0.2045  0.5000  0.9313  1.0
]