data_[Ta2Mo2H4]
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 [P2_1/m]
_cell_length_a [4.8323]
_cell_length_b [2.7441]
_cell_length_c [7.1932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaMoH2]
_chemical_formula_sum '[Ta2 Mo2 H4]'
_cell_volume [90.9540]
_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
[
  Ta  Ta0  2  0.0527  0.2500  0.7043  1
  Mo  Mo1  2  0.3019  0.7500  0.0704  1
  H  H2  2  0.2143  0.7500  0.5682  1
  H  H3  2  0.2565  0.2500  0.2748  1
]