data_Re2BiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   3.75
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   91.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2BiIr
_chemical_formula_sum   'Re2 Bi1 Ir1'
_cell_volume   73.83
_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  Re2  1  0.85  0.88  0.05  1.0
  Re  Re3  1  0.6  0.0  0.26  1.0
  Bi  Bi0  1  0.71  0.88  0.45  1.0
  Ir  Ir1  1  0.35  0.0  0.38  1.0

data_Re2BiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.75
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   91.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2BiIr
_chemical_formula_sum   'Re2 Bi1 Ir1'
_cell_volume   73.83
_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  0.6  0.0  0.26  1.0
  Re  Re1  1  0.85  0.88  0.05  1.0
  Bi  Bi2  1  0.71  0.88  0.45  1.0
  Ir  Ir3  1  0.35  0.0  0.38  1.0

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