data_[Mo8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.8464]
_cell_length_b [5.1398]
_cell_length_c [5.9205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [MoH]
_chemical_formula_sum '[Mo8 H8]'
_cell_volume [147.4783]
_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
[
  Mo  Mo0  4  0.0075  0.1831  0.3836  1.0
  Mo  Mo1  4  0.0157  0.1628  0.8675  1.0
  H  H2  4  0.1384  0.3551  0.1212  1.0
  H  H3  4  0.2407  0.0155  0.6211  1.0
]