data_BaGaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   147.62
_cell_angle_beta   147.62
_cell_angle_gamma   46.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaPt
_chemical_formula_sum   'Ba1 Ga1 Pt1'
_cell_volume   73.17
_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
  Ba  Ba0  1  0.0  0.0  0.63  1.0
  Ga  Ga1  1  0.0  0.0  0.32  1.0
  Pt  Pt2  1  0.0  0.0  0.39  1.0

data_BaGaPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   113.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaGaPt
_chemical_formula_sum   'Ba2 Ga2 Pt2'
_cell_volume   146.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.37  1.0
  Ga  Ga1  2  0.0  0.0  0.68  1.0
  Pt  Pt2  2  0.0  0.0  0.61  1.0

Ba Ga Pt
Ba Ga Pt 0 2 o o o 1 2 o o o 