data_[Ce8H8Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8544]
_cell_length_b [7.1978]
_cell_length_c [6.7283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2H2Se]
_chemical_formula_sum '[Ce8 H8 Se4]'
_cell_volume [350.1664]
_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  0.1680  0.1600  0.1817  1
  H  H1  8  0.1269  0.1251  0.4888  1
  Se  Se2  4  0.0000  0.4614  0.7500  1
]