data_[Ti4V4Pd14]
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 [9.5229]
_cell_length_b [7.8647]
_cell_length_c [4.7709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2V2Pd7]
_chemical_formula_sum '[Ti4 V4 Pd14]'
_cell_volume [354.3643]
_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  0.0000  0.1991  0.5000  1
  V  V1  4  0.2348  0.5000  0.2452  1
  Pd  Pd2  8  0.2199  0.1801  0.2426  1
  Pd  Pd3  4  0.0420  0.5000  0.7644  1
  Pd  Pd4  2  0.0000  0.0000  0.0000  1
]