data_[Ce12In4H8]
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 [Cmcm]
_cell_length_a [8.8417]
_cell_length_b [9.8966]
_cell_length_c [5.4732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce3InH2]
_chemical_formula_sum '[Ce12 In4 H8]'
_cell_volume [478.9238]
_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  0.2025  0.3686  0.7500  1.0
  Ce  Ce1  4  0.0000  0.1511  0.7500  1.0
  In  In2  4  0.0000  0.3401  0.2500  1.0
  H  H3  8  0.1417  0.0000  0.0000  1.0
]