data_LaGeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.24
_cell_angle_alpha   114.18
_cell_angle_beta   114.18
_cell_angle_gamma   51.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGeAu2
_chemical_formula_sum   'La1 Ge1 Au2'
_cell_volume   91.91
_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  0.34  0.0  0.34  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.56  0.0  0.8  1.0
  Au  Au1  1  0.11  0.0  0.87  1.0

data_LaGeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   5.02
_cell_length_c   5.24
_cell_angle_alpha   114.18
_cell_angle_beta   90.0
_cell_angle_gamma   115.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGeAu2
_chemical_formula_sum   'La1 Ge1 Au2'
_cell_volume   91.91
_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  0.66  0.66  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.44  0.2  1.0
  Au  Au3  1  0.0  0.89  0.13  1.0

La Ge Au Au