data_[Pa1Nb1Ga1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.0436]
_cell_length_b [3.0436]
_cell_length_c [7.6256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PaNbGa]
_chemical_formula_sum '[Pa1 Nb1 Ga1]'
_cell_volume [61.1774]
_cell_formula_units_Z [1]
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
[
  Pa  Pa0  1  0.3333  0.6667  0.6624  1
  Nb  Nb1  1  0.0000  0.0000  0.0218  1
  Ga  Ga2  1  0.6667  0.3333  0.3158  1
]