data_[Y12In6Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2819]
_cell_length_b [5.2946]
_cell_length_c [11.6060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y6In3Pd]
_chemical_formula_sum '[Y12 In6 Pd2]'
_cell_volume [538.7381]
_cell_formula_units_Z [2]
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  2  0.1022  0.7500  0.8605  1
  Y  Y1  2  0.1331  0.7500  0.1580  1
  Y  Y2  2  0.1478  0.2500  0.6751  1
  Y  Y3  2  0.2310  0.7500  0.4958  1
  Y  Y4  2  0.3251  0.2500  0.3310  1
  Y  Y5  2  0.4624  0.7500  0.0856  1
  In  In6  2  0.2243  0.2500  0.0263  1
  In  In7  2  0.3903  0.7500  0.7817  1
  In  In8  2  0.4794  0.2500  0.6218  1
  Pd  Pd9  2  0.0484  0.2500  0.4008  1
]