data_[Ta4Ti10Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9783]
_cell_length_b [5.3709]
_cell_length_c [8.6902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Ti5Pd12]
_chemical_formula_sum '[Ta4 Ti10 Pd24]'
_cell_volume [660.2684]
_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
[
  Ta  Ta0  4  0.0000  0.2543  0.0000  1
  Ti  Ti1  4  0.1433  0.5000  0.8490  1
  Ti  Ti2  4  0.1789  0.5000  0.3471  1
  Ti  Ti3  2  0.0000  0.0000  0.5000  1
  Pd  Pd4  8  0.1620  0.2501  0.5995  1
  Pd  Pd5  8  0.1921  0.2462  0.1019  1
  Pd  Pd6  4  0.0115  0.5000  0.3475  1
  Pd  Pd7  4  0.0934  0.0000  0.2899  1
]