data_[Ti8V2Pd2]
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 [C2/m]
_cell_length_a [9.9908]
_cell_length_b [3.2169]
_cell_length_c [6.2805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti4VPd]
_chemical_formula_sum '[Ti8 V2 Pd2]'
_cell_volume [191.0019]
_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  4  0.1599  0.5000  0.3217  1.0
  Ti  Ti1  4  0.1623  0.5000  0.8369  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  2  0.0000  0.0000  0.5000  1.0
]