data_AlGa2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGa2Pt
_chemical_formula_sum   'Al1 Ga2 Pt1'
_cell_volume   64.73
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.03  0.0  0.04  1.0
  Ga  Ga2  1  0.03  0.0  0.65  1.0
  Pt  Pt3  1  0.0  0.0  0.85  1.0

data_AlGa2Pt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AlGa2Pt
_chemical_formula_sum   'Al1 Ga2 Pt1'
_cell_volume   64.74
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.03  0.0  0.04  1.0
  Ga  Ga2  1  0.03  0.0  0.65  1.0
  Pt  Pt3  1  0.0  0.0  0.85  1.0

Al Ga Ga Pt
Al Ga Ga Pt 0 1 o o o 0 3 o o - 2 3 o o o 