data_[In6Ag2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6578]
_cell_length_b [4.7422]
_cell_length_c [10.1357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [In3AgPd6]
_chemical_formula_sum '[In6 Ag2 Pd12]'
_cell_volume [341.2875]
_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
[
  In  In0  2  0.1681  0.7500  0.6171  1
  In  In1  2  0.2021  0.2500  0.9837  1
  In  In2  2  0.4289  0.2500  0.7787  1
  Ag  Ag3  2  0.3801  0.7500  0.4246  1
  Pd  Pd4  2  0.0157  0.2500  0.1789  1
  Pd  Pd5  2  0.0251  0.2500  0.6841  1
  Pd  Pd6  2  0.1874  0.7500  0.1266  1
  Pd  Pd7  2  0.2181  0.2500  0.4812  1
  Pd  Pd8  2  0.3893  0.7500  0.9240  1
  Pd  Pd9  2  0.4196  0.2500  0.2775  1
]