data_GaMoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   2.76
_cell_angle_alpha   98.54
_cell_angle_beta   98.54
_cell_angle_gamma   119.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaMoAu2
_chemical_formula_sum   'Ga1 Mo1 Au2'
_cell_volume   68.45
_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  Ga2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.74  0.0  0.0  1.0
  Au  Au0  1  0.96  0.63  0.32  1.0
  Au  Au1  1  0.96  0.37  0.32  1.0

data_GaMoAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.36
_cell_length_c   5.47
_cell_angle_alpha   115.84
_cell_angle_beta   98.54
_cell_angle_gamma   102.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaMoAu2
_chemical_formula_sum   'Ga1 Mo1 Au2'
_cell_volume   68.45
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.74  1.0
  Au  Au2  1  0.69  0.37  0.33  1.0
  Au  Au3  1  0.95  0.63  0.59  1.0

Ga Mo Au Au