data_[Ti16Pd6Rh4]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7747]
_cell_length_b [7.3819]
_cell_length_c [5.1647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8Pd3Rh2]
_chemical_formula_sum '[Ti16 Pd6 Rh4]'
_cell_volume [445.9980]
_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  0.1227  0.3121  0.3981  1
  Ti  Ti1  4  0.0895  0.5000  0.8908  1
  Ti  Ti2  4  0.1893  0.0000  0.8416  1
  Pd  Pd3  4  0.0000  0.1791  0.0000  1
  Pd  Pd4  2  0.0000  0.0000  0.5000  1
  Rh  Rh5  4  0.2174  0.0000  0.3373  1
]