data_GaSnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.53
_cell_angle_alpha   102.47
_cell_angle_beta   102.47
_cell_angle_gamma   41.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSnPt2
_chemical_formula_sum   'Ga1 Sn1 Pt2'
_cell_volume   70.8
_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
  Ga  Ga0  1  0.46  0.0  0.69  1.0
  Sn  Sn3  1  0.11  0.0  0.96  1.0
  Pt  Pt1  1  0.05  0.0  0.06  1.0
  Pt  Pt2  1  0.68  0.0  0.31  1.0

data_GaSnPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.53
_cell_length_c   4.91
_cell_angle_alpha   102.47
_cell_angle_beta   110.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSnPt2
_chemical_formula_sum   'Ga1 Sn1 Pt2'
_cell_volume   70.8
_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
  Ga  Ga0  1  0.0  0.69  0.46  1.0
  Sn  Sn1  1  0.0  0.96  0.11  1.0
  Pt  Pt2  1  0.0  0.06  0.05  1.0
  Pt  Pt3  1  0.0  0.31  0.68  1.0

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