data_[Ti6Ga1Ni5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3265]
_cell_length_b [6.3329]
_cell_length_c [7.2065]
_cell_angle_alpha [115.3956]
_cell_angle_beta [106.6550]
_cell_angle_gamma [91.1681]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ti6GaNi5]
_chemical_formula_sum '[Ti6 Ga1 Ni5]'
_cell_volume [168.5272]
_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
[
  Ti  Ti0  2  0.1330  0.8979  0.3337  1
  Ti  Ti1  2  0.1772  0.4275  0.3662  1
  Ti  Ti2  2  0.4718  0.7167  0.9570  1
  Ga  Ga3  1  0.0000  0.0000  0.0000  1
  Ni  Ni4  2  0.3948  0.3001  0.6722  1
  Ni  Ni5  2  0.3985  0.8898  0.6916  1
  Ni  Ni6  1  0.0000  0.5000  0.0000  1
]