data_[Ti12Pd10Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0010]
_cell_length_b [7.7604]
_cell_length_c [12.0311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti6Pd5Pt]
_chemical_formula_sum '[Ti12 Pd10 Pt2]'
_cell_volume [373.5566]
_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  8  0.0000  0.2490  0.1660  1
  Ti  Ti1  4  0.0000  0.2524  0.5000  1
  Pd  Pd2  4  0.0000  0.0000  0.3341  1
  Pd  Pd3  4  0.0000  0.5000  0.3316  1
  Pd  Pd4  2  0.0000  0.5000  0.0000  1
  Pt  Pt5  2  0.0000  0.0000  0.0000  1
]