data_[Ta4Mo4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.6173]
_cell_length_b [5.7002]
_cell_length_c [5.0780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [TaMoH2]
_chemical_formula_sum '[Ta4 Mo4 H8]'
_cell_volume [162.5975]
_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
[
  Ta  Ta0  4  0.1195  0.1027  0.0108  1
  Mo  Mo1  4  0.0869  0.6279  0.0109  1
  H  H2  4  0.0684  0.6342  0.3689  1
  H  H3  4  0.1062  0.1282  0.3824  1
]