data_[Ni2Mo2H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [2.9527]
_cell_length_b [4.0219]
_cell_length_c [5.6603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [NiMoH2]
_chemical_formula_sum '[Ni2 Mo2 H4]'
_cell_volume [67.2011]
_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
[
  Ni  Ni0  2  0.2554  0.8301  0.8896  1.0
  Mo  Mo1  2  0.2958  0.8775  0.3850  1.0
  H  H2  2  0.2068  0.0935  0.6696  1.0
  H  H3  2  0.2484  0.1323  0.0912  1.0
]