data_[Ti12V4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [4.7205]
_cell_length_b [12.9908]
_cell_length_c [5.3067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ti3VPd]
_chemical_formula_sum '[Ti12 V4 Pd4]'
_cell_volume [325.4256]
_cell_formula_units_Z [4]
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  4  0.2500  0.1626  0.9165  1.0
  Ti  Ti1  4  0.2500  0.5663  0.2233  1.0
  Ti  Ti2  4  0.2500  0.6996  0.7138  1.0
  V  V3  4  0.0000  0.0000  0.1889  1.0
  Pd  Pd4  4  0.2500  0.1399  0.4570  1.0
]