data_[Ta24Ga3H18]
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 [R-3]
_cell_length_a [8.3439]
_cell_length_b [8.3439]
_cell_length_c [8.8600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ta8GaH6]
_chemical_formula_sum '[Ta24 Ga3 H18]'
_cell_volume [534.2034]
_cell_formula_units_Z [3]
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  18  0.0009  0.6604  0.5595  1.0
  Ta  Ta1  6  0.0000  0.0000  0.3240  1.0
  Ga  Ga2  3  0.0000  0.0000  0.0000  1.0
  H  H3  18  0.0778  0.8358  0.3997  1.0
]