data_[Ta2Ga4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.9958]
_cell_length_b [3.3851]
_cell_length_c [6.6822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8930]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaGa2H]
_chemical_formula_sum '[Ta2 Ga4 H2]'
_cell_volume [111.9327]
_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  0.1223  0.0000  0.1401  1
  Ga  Ga1  2  0.1925  0.5000  0.8207  1
  Ga  Ga2  2  0.3975  0.5000  0.4927  1
  H  H3  2  0.4979  0.0000  0.2290  1
]