data_Y2AlBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   140.13
_cell_angle_beta   136.85
_cell_angle_gamma   60.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AlBi
_chemical_formula_sum   'Y2 Al1 Bi1'
_cell_volume   106.6
_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  0.01  1.0
  Y  Y3  1  0.0  0.3  0.68  1.0
  Al  Al0  1  0.0  0.0  0.35  1.0
  Bi  Bi1  1  0.14  0.0  0.79  1.0

data_Y2AlBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.61
_cell_length_c   6.26
_cell_angle_alpha   111.57
_cell_angle_beta   109.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AlBi
_chemical_formula_sum   'Y2 Al1 Bi1'
_cell_volume   106.6
_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  0.01  0.01  1.0
  Y  Y1  1  0.7  0.38  0.38  1.0
  Al  Al2  1  0.0  0.35  0.35  1.0
  Bi  Bi3  1  0.0  0.79  0.66  1.0

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