data_LiY2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Bi
_chemical_formula_sum   'Li1 Y2 Bi1'
_cell_volume   110.83
_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
  Li  Li1  1  0.0  0.0  0.95  1.0
  Y  Y2  1  0.82  0.82  0.12  1.0
  Y  Y3  1  0.0  0.0  0.24  1.0
  Bi  Bi0  1  0.82  0.82  0.54  1.0

data_LiY2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiY2Bi
_chemical_formula_sum   'Li2 Y4 Bi2'
_cell_volume   221.66
_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
  Li  Li0  2  0.0  0.0  0.95  1.0
  Y  Y1  2  0.0  0.0  0.24  1.0
  Y  Y2  2  0.32  0.5  0.12  1.0
  Bi  Bi3  2  0.32  0.5  0.54  1.0

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