data_[Y24Ga8]
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 [I-4]
_cell_length_a [12.1827]
_cell_length_b [12.1827]
_cell_length_c [6.1468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Y3Ga]
_chemical_formula_sum '[Y24 Ga8]'
_cell_volume [912.2997]
_cell_formula_units_Z [8]
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  0.0364  0.6347  0.0225  1.0
  Y  Y1  8  0.0805  0.1154  0.2576  1.0
  Y  Y2  8  0.1702  0.2172  0.7538  1.0
  Ga  Ga3  8  0.0507  0.7022  0.5179  1.0
]