data_LaY2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   136.08
_cell_angle_beta   136.08
_cell_angle_gamma   63.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Au
_chemical_formula_sum   'La1 Y2 Au1'
_cell_volume   113.13
_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  La1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.32  0.0  0.63  1.0
  Y  Y3  1  0.0  0.32  0.63  1.0
  Au  Au0  1  0.0  0.0  0.26  1.0

data_LaY2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   121.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaY2Au
_chemical_formula_sum   'La2 Y4 Au2'
_cell_volume   226.27
_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
  Y  Y1  4  0.03  0.34  0.69  1.0
  Au  Au2  2  0.24  0.5  0.74  1.0

La Y Y Au
La Y Y Au 0 3 o o o 1 3 o o o 2 3 o o o 