data_LaSnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   3.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSnAu2
_chemical_formula_sum   'La1 Sn1 Au2'
_cell_volume   95.18
_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  La2  1  0.52  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.76  0.8  0.88  1.0
  Au  Au1  1  0.76  0.2  0.88  1.0

data_LaSnAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.76
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaSnAu2
_chemical_formula_sum   'La1 Sn1 Au2'
_cell_volume   95.2
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.52  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Au  Au2  2  0.88  0.2  0.76  1.0

La Sn Au Au
La Sn Au Au 0 2 o - - 0 3 o o - 1 2 - - - 1 3 - o - 