data_[Ti8V4Pd4]
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 [Ama2]
_cell_length_a [4.9783]
_cell_length_b [6.9845]
_cell_length_c [6.9796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [Ti2VPd]
_chemical_formula_sum '[Ti8 V4 Pd4]'
_cell_volume [242.6851]
_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  0.0000  0.0000  0.4981  1
  Ti  Ti1  4  0.2500  0.3750  0.3769  1
  V  V2  4  0.2500  0.1232  0.1251  1
  Pd  Pd3  4  0.2500  0.2511  0.7499  1
]