data_TiNb2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   136.18
_cell_angle_beta   136.18
_cell_angle_gamma   63.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb2Pt
_chemical_formula_sum   'Ti1 Nb2 Pt1'
_cell_volume   68.09
_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
  Nb  Nb0  1  0.96  0.0  0.23  1.0
  Nb  Nb1  1  0.0  0.96  0.23  1.0
  Pt  Pt2  1  0.0  0.0  0.45  1.0

data_TiNb2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   121.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiNb2Pt
_chemical_formula_sum   'Ti2 Nb4 Pt2'
_cell_volume   136.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Nb  Nb1  4  0.02  0.98  0.27  1.0
  Pt  Pt2  2  0.0  0.0  0.45  1.0

Ti Nb Nb Pt