data_[Y8Ga12Ni20]
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 [9.8797]
_cell_length_b [11.5201]
_cell_length_c [5.5734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Y2Ga3Ni5]
_chemical_formula_sum '[Y8 Ga12 Ni20]'
_cell_volume [634.3386]
_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  0.2340  0.3704  0.5000  1.0
  Ga  Ga1  8  0.1038  0.3592  0.0000  1.0
  Ga  Ga2  4  0.0000  0.0000  0.2500  1.0
  Ni  Ni3  8  0.0000  0.2163  0.2500  1.0
  Ni  Ni4  8  0.1597  0.1108  0.5000  1.0
  Ni  Ni5  4  0.0000  0.5000  0.2500  1.0
]