data_[V2Mo2H2]
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/m]
_cell_length_a [4.4726]
_cell_length_b [3.1413]
_cell_length_c [4.5163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VMoH]
_chemical_formula_sum '[V2 Mo2 H2]'
_cell_volume [63.4526]
_cell_formula_units_Z [2]
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  2  0.0031  0.7500  0.7339  1.0
  Mo  Mo1  2  0.4954  0.2500  0.7439  1.0
  H  H2  2  0.1166  0.7500  0.1141  1.0
]