data_[Ce8Mo8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5665]
_cell_length_b [12.0640]
_cell_length_c [6.1902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeMoH]
_chemical_formula_sum '[Ce8 Mo8 H8]'
_cell_volume [378.2711]
_cell_formula_units_Z [8]
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  0.2000  0.1204  0.7964  1
  Mo  Mo1  4  0.0000  0.3288  0.5000  1
  Mo  Mo2  4  0.2313  0.5000  0.7492  1
  H  H3  8  0.2268  0.1619  0.1886  1
]