data_[Ti20Co8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.9178]
_cell_length_b [6.0699]
_cell_length_c [6.1187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ti5(CoPd)2]
_chemical_formula_sum '[Ti20 Co8 Pd8]'
_cell_volume [554.0505]
_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  16  0.1278  0.1823  0.6833  1.0
  Ti  Ti1  4  0.0000  0.0000  0.0000  1.0
  Co  Co2  8  0.0000  0.1343  0.3646  1.0
  Pd  Pd3  8  0.2244  0.0000  0.0000  1.0
]