data_LaGe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   5.94
_cell_angle_alpha   110.16
_cell_angle_beta   110.16
_cell_angle_gamma   57.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGe2Au
_chemical_formula_sum   'La1 Ge2 Au1'
_cell_volume   88.97
_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  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.18  0.0  0.7  1.0
  Ge  Ge2  1  0.2  0.0  0.76  1.0
  Au  Au0  1  0.69  0.0  0.73  1.0

data_LaGe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.4
_cell_length_c   5.94
_cell_angle_alpha   110.16
_cell_angle_beta   90.0
_cell_angle_gamma   118.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGe2Au
_chemical_formula_sum   'La1 Ge2 Au1'
_cell_volume   88.97
_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  0.0  1.0
  Ge  Ge1  1  0.0  0.8  0.24  1.0
  Ge  Ge2  1  0.0  0.82  0.3  1.0
  Au  Au3  1  0.0  0.31  0.27  1.0

La Ge Ge Au