data_ReBiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBiSb2
_chemical_formula_sum   'Re1 Bi1 Sb2'
_cell_volume   98.22
_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
  Re  Re1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.61  1.0
  Sb  Sb2  1  0.63  0.63  0.65  1.0
  Sb  Sb3  1  0.63  0.63  0.57  1.0

data_ReBiSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReBiSb2
_chemical_formula_sum   'Re2 Bi2 Sb4'
_cell_volume   196.43
_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
  Re  Re0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.61  1.0
  Sb  Sb2  2  0.13  0.5  0.57  1.0
  Sb  Sb3  2  0.13  0.5  0.65  1.0

Re Bi Sb Sb
Re Bi Sb Sb 0 2 - - - 0 0 + o o 0 0 o + o 0 1 o o - 1 3 - - o 1 2 - - o 2 3 o o o 