data_[Ti20Ga4Ni4]
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 [C2/c]
_cell_length_a [6.9860]
_cell_length_b [7.2761]
_cell_length_c [9.0514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti5GaNi]
_chemical_formula_sum '[Ti20 Ga4 Ni4]'
_cell_volume [456.6292]
_cell_formula_units_Z [4]
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  8  0.1372  0.3769  0.0154  1
  Ti  Ti1  8  0.1944  0.2195  0.3438  1
  Ti  Ti2  4  0.0000  0.1104  0.7500  1
  Ga  Ga3  4  0.0000  0.4786  0.7500  1
  Ni  Ni4  4  0.0000  0.0000  0.0000  1
]