data_Tl2GaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.59
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   94.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaPt
_chemical_formula_sum   'Tl2 Ga1 Pt1'
_cell_volume   93.44
_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
  Tl  Tl2  1  0.21  0.8  0.86  1.0
  Tl  Tl3  1  0.3  0.8  0.32  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.67  0.0  0.09  1.0

data_Tl2GaPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.59
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   94.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaPt
_chemical_formula_sum   'Tl2 Ga1 Pt1'
_cell_volume   93.44
_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
  Tl  Tl0  1  0.21  0.8  0.86  1.0
  Tl  Tl1  1  0.3  0.8  0.32  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.67  0.0  0.09  1.0

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