data_[Ti4In2Pd2]
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 [P2_1/m]
_cell_length_a [5.1563]
_cell_length_b [4.6737]
_cell_length_c [5.8433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti2InPd]
_chemical_formula_sum '[Ti4 In2 Pd2]'
_cell_volume [140.6926]
_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
[
  Ti  Ti0  2  0.1520  0.2500  0.9840  1.0
  Ti  Ti1  2  0.1634  0.2500  0.4753  1.0
  In  In2  2  0.3474  0.7500  0.7553  1.0
  Pd  Pd3  2  0.3316  0.7500  0.2554  1.0
]