data_FeSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   31.94
_cell_angle_beta   31.94
_cell_angle_gamma   31.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiBi2
_chemical_formula_sum   'Fe1 Si1 Bi2'
_cell_volume   92.16
_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
  Fe  Fe2  1  0.0  0.0  0.36  1.0
  Si  Si3  1  0.0  0.0  0.17  1.0
  Bi  Bi0  1  0.0  0.0  0.71  1.0
  Bi  Bi1  1  0.0  0.0  0.39  1.0

data_FeSiBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.85
_cell_length_b   3.95
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   108.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeSiBi2
_chemical_formula_sum   'Fe2 Si2 Bi4'
_cell_volume   184.33
_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
  Fe  Fe0  2  0.0  0.0  0.64  1.0
  Si  Si1  2  0.0  0.0  0.83  1.0
  Bi  Bi2  2  0.0  0.0  0.29  1.0
  Bi  Bi3  2  0.0  0.0  0.61  1.0

Fe Si Bi Bi
Fe Si Bi Bi 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 