data_LaY2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   134.75
_cell_angle_beta   134.75
_cell_angle_gamma   65.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Au
_chemical_formula_sum   'La1 Y2 Au1'
_cell_volume   110.46
_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  0.08  1.0
  Y  Y2  1  0.0  0.33  0.54  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.33  0.0  0.54  1.0

data_LaY2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   6.06
_cell_angle_alpha   112.63
_cell_angle_beta   112.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Au
_chemical_formula_sum   'La1 Y2 Au1'
_cell_volume   110.46
_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  0.92  0.0  0.92  1.0
  Y  Y1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.79  0.33  0.79  1.0
  Au  Au3  1  0.46  0.0  0.79  1.0

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