data_LaYBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   114.14
_cell_angle_beta   114.14
_cell_angle_gamma   100.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYBi2
_chemical_formula_sum   'La1 Y1 Bi2'
_cell_volume   122.69
_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
  La  La2  1  0.0  0.0  0.49  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.97  0.0  0.74  1.0
  Bi  Bi1  1  0.0  0.97  0.74  1.0

data_LaYBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.98
_cell_length_b   8.39
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   129.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaYBi2
_chemical_formula_sum   'La2 Y2 Bi4'
_cell_volume   245.37
_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
  La  La0  2  0.0  0.0  0.51  1.0
  Y  Y1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  4  0.02  0.02  0.26  1.0

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