data_[Ti4Pd3Rh1]
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 [P4/mmm]
_cell_length_a [2.8710]
_cell_length_b [2.8710]
_cell_length_c [15.0436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ti4Pd3Rh]
_chemical_formula_sum '[Ti4 Pd3 Rh1]'
_cell_volume [124.0010]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.1172  1
  Ti  Ti1  2  0.0000  0.0000  0.3732  1
  Pd  Pd2  2  0.5000  0.5000  0.2456  1
  Pd  Pd3  1  0.5000  0.5000  0.5000  1
  Rh  Rh4  1  0.5000  0.5000  0.0000  1
]