data_LaFeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   4.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFeBi2
_chemical_formula_sum   'La1 Fe1 Bi2'
_cell_volume   105.62
_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  La3  1  0.38  0.0  0.0  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.69  0.93  0.03  1.0
  Bi  Bi1  1  0.69  0.07  0.03  1.0

data_LaFeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   97.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFeBi2
_chemical_formula_sum   'La1 Fe1 Bi2'
_cell_volume   105.62
_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  La0  1  0.0  0.38  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.03  0.69  0.07  1.0
  Bi  Bi3  1  0.03  0.69  0.93  1.0

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