data_Ti2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   129.81
_cell_angle_beta   129.81
_cell_angle_gamma   73.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AsPt
_chemical_formula_sum   'Ti2 As1 Pt1'
_cell_volume   63.1
_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  0.03  0.91  1.0
  Ti  Ti3  1  0.03  0.0  0.91  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.83  1.0

data_Ti2AsPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   126.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2AsPt
_chemical_formula_sum   'Ti4 As2 Pt2'
_cell_volume   126.2
_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  4  0.1  0.01  0.12  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.17  0.0  0.17  1.0

Ti Ti As Pt
Ti Ti As Pt 0 1 o o o 0 2 o o + 0 3 o o o 1 2 o o + 1 3 o o o 