data_[Y12Ga20]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.4919]
_cell_length_b [9.6915]
_cell_length_c [6.1108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Y3Ga5]
_chemical_formula_sum '[Y12 Ga20]'
_cell_volume [680.5884]
_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  0.1480  0.5093  0.6099  1
  Y  Y1  4  0.0739  0.2500  0.1515  1
  Ga  Ga2  8  0.0909  0.5533  0.1244  1
  Ga  Ga3  4  0.0047  0.2500  0.6285  1
  Ga  Ga4  4  0.2015  0.7500  0.8975  1
  Ga  Ga5  4  0.2478  0.7500  0.3251  1
]