data_Y2BiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   143.09
_cell_angle_beta   136.1
_cell_angle_gamma   58.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BiAu
_chemical_formula_sum   'Y2 Bi1 Au1'
_cell_volume   105.54
_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  Y2  1  0.0  0.0  0.03  1.0
  Y  Y3  1  0.0  0.37  0.5  1.0
  Bi  Bi1  1  0.01  0.0  0.03  1.0
  Au  Au0  1  0.0  0.0  0.57  1.0

data_Y2BiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.75
_cell_length_c   6.35
_cell_angle_alpha   111.95
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BiAu
_chemical_formula_sum   'Y2 Bi1 Au1'
_cell_volume   105.54
_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  Y0  1  0.0  0.03  0.03  1.0
  Y  Y1  1  0.63  0.13  0.13  1.0
  Bi  Bi2  1  0.0  0.03  0.02  1.0
  Au  Au3  1  0.0  0.57  0.57  1.0

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