data_[In2Sn2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1300]
_cell_length_b [5.6351]
_cell_length_c [7.1545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InSnPd2]
_chemical_formula_sum '[In2 Sn2 Pd4]'
_cell_volume [166.4853]
_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  0.2569  0.2500  0.9195  1.0
  Sn  Sn1  2  0.2439  0.7500  0.5833  1.0
  Pd  Pd2  4  0.2503  0.0001  0.2555  1.0
]