data_TiPtRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   131.98
_cell_angle_beta   131.98
_cell_angle_gamma   70.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPtRh2
_chemical_formula_sum   'Ti1 Pt1 Rh2'
_cell_volume   58.81
_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  Ti3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.94  0.95  1.0
  Rh  Rh1  1  0.0  0.0  0.9  1.0
  Rh  Rh2  1  0.94  0.0  0.95  1.0

data_TiPtRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   4.77
_cell_angle_alpha   114.01
_cell_angle_beta   114.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPtRh2
_chemical_formula_sum   'Ti1 Pt1 Rh2'
_cell_volume   58.81
_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  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.01  0.95  0.01  1.0
  Rh  Rh2  1  0.9  0.9  0.9  1.0
  Rh  Rh3  1  0.95  0.01  0.01  1.0

Ti Pt Rh Rh
Ti Pt Rh Rh 0 3 - o - 0 1 o - - 0 2 o o - 1 2 o + o 2 3 - o o 