data_LaGaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   5.49
_cell_angle_alpha   110.51
_cell_angle_beta   110.51
_cell_angle_gamma   52.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaAu2
_chemical_formula_sum   'La1 Ga1 Au2'
_cell_volume   92.09
_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
  La  La3  1  1.0  0.0  0.31  1.0
  Ga  Ga2  1  0.25  0.0  0.08  1.0
  Au  Au0  1  0.49  0.0  0.69  1.0
  Au  Au1  1  0.51  0.0  0.56  1.0

data_LaGaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.81
_cell_length_c   5.49
_cell_angle_alpha   110.51
_cell_angle_beta   90.0
_cell_angle_gamma   116.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaAu2
_chemical_formula_sum   'La1 Ga1 Au2'
_cell_volume   92.09
_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
  La  La0  1  0.0  0.0  0.69  1.0
  Ga  Ga1  1  0.0  0.75  0.92  1.0
  Au  Au2  1  0.0  0.49  0.44  1.0
  Au  Au3  1  0.0  0.51  0.31  1.0

La Ga Au Au