data_TiVPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVPt2
_chemical_formula_sum   'Ti1 V1 Pt2'
_cell_volume   61.16
_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  0.18  1.0
  V  V3  1  0.15  0.0  0.53  1.0
  Pt  Pt0  1  0.0  0.0  0.22  1.0
  Pt  Pt1  1  0.15  0.0  0.59  1.0

data_TiVPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVPt2
_chemical_formula_sum   'Ti1 V1 Pt2'
_cell_volume   61.16
_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  0.18  1.0
  V  V1  1  0.15  0.0  0.53  1.0
  Pt  Pt2  1  0.0  0.0  0.22  1.0
  Pt  Pt3  1  0.15  0.0  0.59  1.0

Ti V Pt Pt
Ti V Pt Pt 0 2 o o o 1 3 o o o 