data_FeSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiBi2
_chemical_formula_sum   'Fe1 Si1 Bi2'
_cell_volume   87.38
_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  0.27  0.0  0.53  1.0
  Si  Si3  1  0.0  0.0  0.68  1.0
  Bi  Bi0  1  0.27  0.0  0.64  1.0
  Bi  Bi1  1  0.0  0.0  0.55  1.0

data_FeSiBi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   FeSiBi2
_chemical_formula_sum   'Fe1 Si1 Bi2'
_cell_volume   87.4
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Fe0  1  0.27  0.0  0.53  1.0
  Si  Si1  1  0.0  0.0  0.68  1.0
  Bi  Bi2  1  0.0  0.0  0.55  1.0
  Bi  Bi3  1  0.27  0.0  0.64  1.0

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