data_TiMoPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   147.86
_cell_angle_beta   137.8
_cell_angle_gamma   54.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMoPt
_chemical_formula_sum   'Ti1 Mo1 Pt1'
_cell_volume   47.56
_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  Ti2  1  0.0  0.0  0.03  1.0
  Mo  Mo0  1  0.0  0.0  0.09  1.0
  Pt  Pt1  1  0.0  0.0  0.11  1.0

data_TiMoPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.68
_cell_length_c   5.12
_cell_angle_alpha   111.1
_cell_angle_beta   106.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMoPt
_chemical_formula_sum   'Ti1 Mo1 Pt1'
_cell_volume   47.56
_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  0.97  0.97  0.97  1.0
  Mo  Mo1  1  0.91  0.91  0.91  1.0
  Pt  Pt2  1  0.89  0.89  0.89  1.0

Ti Mo Pt
Ti Mo Pt 0 1 o o o 1 2 o o o 