data_TaTiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.95
_cell_angle_alpha   97.95
_cell_angle_beta   97.95
_cell_angle_gamma   33.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiPt2
_chemical_formula_sum   'Ta1 Ti1 Pt2'
_cell_volume   65.41
_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
  Ta  Ta2  1  0.31  0.0  0.27  1.0
  Ti  Ti3  1  0.83  0.0  0.88  1.0
  Pt  Pt0  1  0.67  0.0  0.73  1.0
  Pt  Pt1  1  0.83  0.0  0.37  1.0

data_TaTiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.9
_cell_length_c   4.95
_cell_angle_alpha   97.95
_cell_angle_beta   90.0
_cell_angle_gamma   106.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiPt2
_chemical_formula_sum   'Ta1 Ti1 Pt2'
_cell_volume   65.41
_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
  Ta  Ta0  1  0.0  0.69  0.73  1.0
  Ti  Ti1  1  0.0  0.17  0.12  1.0
  Pt  Pt2  1  0.0  0.17  0.63  1.0
  Pt  Pt3  1  0.0  0.33  0.27  1.0

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