data_GaBiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   4.74
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   98.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBiPt2
_chemical_formula_sum   'Ga1 Bi1 Pt2'
_cell_volume   83.14
_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  Ga1  1  0.02  0.0  0.65  1.0
  Bi  Bi0  1  0.5  0.37  0.51  1.0
  Pt  Pt2  1  0.85  0.37  0.2  1.0
  Pt  Pt3  1  0.35  0.0  0.43  1.0

data_GaBiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.57
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBiPt2
_chemical_formula_sum   'Ga1 Bi1 Pt2'
_cell_volume   83.14
_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  0.98  0.35  0.0  1.0
  Bi  Bi1  1  0.5  0.49  0.63  1.0
  Pt  Pt2  1  0.15  0.8  0.63  1.0
  Pt  Pt3  1  0.65  0.57  0.0  1.0

Ga Bi Pt Pt
Ga Bi Pt Pt 0 3 o o o 1 3 o o o 1 2 o o o 