data_[Ti2Ga2Ni8]
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/m]
_cell_length_a [8.3764]
_cell_length_b [3.4053]
_cell_length_c [5.3451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiGaNi4]
_chemical_formula_sum '[Ti2 Ga2 Ni8]'
_cell_volume [143.7098]
_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
[
  Ti  Ti0  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga1  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni2  4  0.1638  0.0000  0.8329  1.0
  Ni  Ni3  4  0.1669  0.0000  0.3343  1.0
]