data_[Ti4In3Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5303]
_cell_length_b [3.5303]
_cell_length_c [11.8349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ti4In3Pd]
_chemical_formula_sum '[Ti4 In3 Pd1]'
_cell_volume [147.4980]
_cell_formula_units_Z [1]
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
[
  Ti  Ti0  2  0.0000  0.0000  0.1124  1
  Ti  Ti1  2  0.0000  0.0000  0.3701  1
  In  In2  2  0.5000  0.5000  0.2398  1
  In  In3  1  0.5000  0.5000  0.5000  1
  Pd  Pd4  1  0.5000  0.5000  0.0000  1
]