data_[Ce16Sn12H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8216]
_cell_length_b [9.6883]
_cell_length_c [6.7108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4Sn3H2]
_chemical_formula_sum '[Ce16 Sn12 H8]'
_cell_volume [866.5218]
_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  0.1101  0.2226  0.0472  1.0
  Ce  Ce1  8  0.1970  0.4282  0.6025  1.0
  Sn  Sn2  8  0.1210  0.1161  0.5846  1.0
  Sn  Sn3  4  0.0000  0.4970  0.2500  1.0
  H  H4  8  0.2267  0.3642  0.9424  1.0
]