data_YIn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.37
_cell_length_b   10.37
_cell_length_c   10.37
_cell_angle_alpha   20.12
_cell_angle_beta   20.12
_cell_angle_gamma   20.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2Bi
_chemical_formula_sum   'Y1 In2 Bi1'
_cell_volume   115.41
_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  0.0  1.0
  In  In1  1  0.0  0.0  0.62  1.0
  In  In2  1  0.0  0.0  0.85  1.0
  Bi  Bi0  1  0.0  0.0  0.23  1.0

data_YIn2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.27
_cell_length_b   3.62
_cell_length_c   10.37
_cell_angle_alpha   90.0
_cell_angle_beta   101.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YIn2Bi
_chemical_formula_sum   'Y2 In4 Bi2'
_cell_volume   230.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.15  1.0
  In  In2  2  0.0  0.0  0.38  1.0
  Bi  Bi3  2  0.0  0.0  0.77  1.0

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