data_[Ti5Pt4Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8635]
_cell_length_b [2.8635]
_cell_length_c [18.8497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ti5Pt4Rh]
_chemical_formula_sum '[Ti5 Pt4 Rh1]'
_cell_volume [154.5643]
_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  0.5000  0.5000  0.0940  1
  Ti  Ti1  2  0.5000  0.5000  0.2974  1
  Ti  Ti2  1  0.5000  0.5000  0.5000  1
  Pt  Pt3  2  0.0000  0.0000  0.1955  1
  Pt  Pt4  2  0.0000  0.0000  0.3984  1
  Rh  Rh5  1  0.0000  0.0000  0.0000  1
]