data_BaGaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   6.03
_cell_angle_alpha   107.02
_cell_angle_beta   107.02
_cell_angle_gamma   51.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaAu2
_chemical_formula_sum   'Ba1 Ga1 Au2'
_cell_volume   107.88
_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  Ba2  1  0.41  0.0  0.85  1.0
  Ga  Ga3  1  0.14  0.0  0.59  1.0
  Au  Au0  1  0.03  0.0  0.14  1.0
  Au  Au1  1  0.78  0.0  0.97  1.0

data_BaGaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.92
_cell_length_c   6.03
_cell_angle_alpha   107.02
_cell_angle_beta   90.0
_cell_angle_gamma   115.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaAu2
_chemical_formula_sum   'Ba1 Ga1 Au2'
_cell_volume   107.88
_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  0.59  0.15  1.0
  Ga  Ga1  1  0.0  0.86  0.41  1.0
  Au  Au2  1  0.0  0.22  0.03  1.0
  Au  Au3  1  0.0  0.97  0.86  1.0

Ba Ga Au Au
Ba Ga Au Au 0 1 o o o 0 3 o o o 2 3 - o - 