data_YAlBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.23
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   95.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlBi2
_chemical_formula_sum   'Y1 Al1 Bi2'
_cell_volume   109.33
_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  0.68  0.0  0.22  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.75  0.11  0.6  1.0
  Bi  Bi2  1  0.62  0.11  0.84  1.0

data_YAlBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.23
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   95.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlBi2
_chemical_formula_sum   'Y1 Al1 Bi2'
_cell_volume   109.33
_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  0.68  0.0  0.22  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.62  0.11  0.84  1.0
  Bi  Bi3  1  0.75  0.11  0.6  1.0

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