data_LaAg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.28
_cell_length_b   10.28
_cell_length_c   10.28
_cell_angle_alpha   17.66
_cell_angle_beta   17.66
_cell_angle_gamma   17.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAg2Au
_chemical_formula_sum   'La1 Ag2 Au1'
_cell_volume   87.25
_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
  Ag  Ag0  1  0.0  0.0  0.02  1.0
  Ag  Ag1  1  0.0  0.0  0.33  1.0
  Au  Au2  1  0.0  0.0  0.17  1.0

data_LaAg2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   3.16
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   100.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaAg2Au
_chemical_formula_sum   'La2 Ag4 Au2'
_cell_volume   174.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.67  1.0
  Ag  Ag2  2  0.0  0.0  0.98  1.0
  Au  Au3  2  0.0  0.0  0.83  1.0

La Ag Ag Au
La Ag Ag Au 0 1 o o o 0 3 o o o 1 3 o o o 2 3 o o o 