data_[V4Mo4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1792]
_cell_length_b [4.7294]
_cell_length_c [5.8582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [VMoH3]
_chemical_formula_sum '[V4 Mo4 H12]'
_cell_volume [143.4907]
_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
[
  V  V0  4  0.0733  0.2497  0.3785  1.0
  Mo  Mo1  4  0.4021  0.7342  0.3754  1.0
  H  H2  4  0.1867  0.0149  0.6458  1.0
  H  H3  4  0.2066  0.5009  0.6052  1.0
  H  H4  4  0.4035  0.1295  0.3787  1.0
]