data_[Ta4Mo2H4]
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 [P-1]
_cell_length_a [4.7477]
_cell_length_b [5.5617]
_cell_length_c [5.5988]
_cell_angle_alpha [63.0741]
_cell_angle_beta [65.1285]
_cell_angle_gamma [65.1019]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta2MoH2]
_chemical_formula_sum '[Ta4 Mo2 H4]'
_cell_volume [114.6256]
_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  0.1889  0.2453  0.4045  1
  Ta  Ta1  2  0.4882  0.2618  0.7582  1
  Mo  Mo2  2  0.1851  0.7430  0.9097  1
  H  H3  2  0.0651  0.3646  0.7191  1
  H  H4  2  0.0876  0.9920  0.3069  1
]