data_ReBiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.52
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   93.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBiSb2
_chemical_formula_sum   'Re1 Bi1 Sb2'
_cell_volume   94.37
_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  0.22  0.0  0.18  1.0
  Bi  Bi0  1  0.97  0.76  0.24  1.0
  Sb  Sb2  1  0.94  0.76  0.49  1.0
  Sb  Sb3  1  0.62  0.0  0.62  1.0

data_ReBiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.52
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   93.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBiSb2
_chemical_formula_sum   'Re1 Bi1 Sb2'
_cell_volume   94.37
_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  Re0  1  0.22  0.0  0.18  1.0
  Bi  Bi1  1  0.97  0.76  0.24  1.0
  Sb  Sb2  1  0.62  0.0  0.62  1.0
  Sb  Sb3  1  0.94  0.76  0.49  1.0

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