data_[Y8Ga20Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.8260]
_cell_length_b [12.2981]
_cell_length_c [5.5454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Y2Ga5Ni3]
_chemical_formula_sum '[Y8 Ga20 Ni12]'
_cell_volume [670.1053]
_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
[
  Y  Y0  8  0.2238  0.3572  0.5000  1.0
  Ga  Ga1  8  0.0000  0.2099  0.2500  1.0
  Ga  Ga2  8  0.1722  0.0896  0.5000  1.0
  Ga  Ga3  4  0.0000  0.5000  0.2500  1.0
  Ni  Ni4  8  0.0928  0.3557  0.0000  1.0
  Ni  Ni5  4  0.0000  0.0000  0.2500  1.0
]