data_YBi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBi2Au
_chemical_formula_sum   'Y1 Bi2 Au1'
_cell_volume   111.1
_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
  Y  Y3  1  0.0  0.0  0.18  1.0
  Bi  Bi1  1  0.0  0.0  0.46  1.0
  Bi  Bi2  1  0.44  0.0  0.57  1.0
  Au  Au0  1  0.44  0.0  0.48  1.0

data_YBi2Au
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YBi2Au
_chemical_formula_sum   'Y1 Bi2 Au1'
_cell_volume   111.13
_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
  Y  Y0  1  0.0  0.0  0.18  1.0
  Bi  Bi1  1  0.0  0.0  0.46  1.0
  Bi  Bi2  1  0.44  0.0  0.57  1.0
  Au  Au3  1  0.44  0.0  0.48  1.0

Y Bi Bi Au
Y Bi Bi Au 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 