data_[Y12Ga8Pd12]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3678]
_cell_length_b [10.5592]
_cell_length_c [14.4913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y3Ga2Pd3]
_chemical_formula_sum '[Y12 Ga8 Pd12]'
_cell_volume [668.3516]
_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  0.0000  0.0790  0.6056  1
  Y  Y1  4  0.0000  0.3636  0.7500  1
  Ga  Ga2  8  0.0000  0.2166  0.0978  1
  Pd  Pd3  8  0.0000  0.3822  0.5441  1
  Pd  Pd4  4  0.0000  0.3504  0.2500  1
]