data_[Ti24Co8Pd4]
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 [Immm]
_cell_length_a [7.7512]
_cell_length_b [8.0058]
_cell_length_c [9.0636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti6Co2Pd]
_chemical_formula_sum '[Ti24 Co8 Pd4]'
_cell_volume [562.4381]
_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  8  0.0000  0.2044  0.2330  1.0
  Ti  Ti1  8  0.1998  0.3084  0.5000  1.0
  Ti  Ti2  8  0.2036  0.5000  0.1717  1.0
  Co  Co3  4  0.0000  0.3416  0.0000  1.0
  Co  Co4  4  0.0000  0.5000  0.3654  1.0
  Pd  Pd5  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd6  2  0.0000  0.0000  0.5000  1.0
]