data_TiGaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.65
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   95.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaPt2
_chemical_formula_sum   'Ti1 Ga1 Pt2'
_cell_volume   63.48
_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  0.05  0.0  0.28  1.0
  Ga  Ga0  1  0.17  0.32  0.93  1.0
  Pt  Pt1  1  0.62  0.0  0.72  1.0
  Pt  Pt2  1  0.2  0.32  0.42  1.0

data_TiGaPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.65
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   95.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaPt2
_chemical_formula_sum   'Ti1 Ga1 Pt2'
_cell_volume   63.48
_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  0.05  0.0  0.28  1.0
  Ga  Ga1  1  0.17  0.32  0.93  1.0
  Pt  Pt2  1  0.2  0.32  0.42  1.0
  Pt  Pt3  1  0.62  0.0  0.72  1.0

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