data_TiRePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.76
_cell_angle_alpha   99.47
_cell_angle_beta   99.47
_cell_angle_gamma   33.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRePt2
_chemical_formula_sum   'Ti1 Re1 Pt2'
_cell_volume   61.5
_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
  Re  Re2  1  0.24  0.0  0.35  1.0
  Pt  Pt0  1  0.77  0.0  0.2  1.0
  Pt  Pt1  1  0.7  0.0  0.49  1.0

data_TiRePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.76
_cell_length_c   4.85
_cell_angle_alpha   99.47
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRePt2
_chemical_formula_sum   'Ti1 Re1 Pt2'
_cell_volume   61.5
_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
  Re  Re1  1  0.0  0.35  0.24  1.0
  Pt  Pt2  1  0.0  0.2  0.77  1.0
  Pt  Pt3  1  0.0  0.49  0.7  1.0

Ti Re Pt Pt