data_Re2BiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.84
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2BiSe
_chemical_formula_sum   'Re2 Bi1 Se1'
_cell_volume   85.64
_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  0.49  1.0
  Re  Re2  1  0.51  0.92  0.59  1.0
  Bi  Bi0  1  0.51  0.92  0.02  1.0
  Se  Se3  1  0.0  0.0  0.98  1.0

data_Re2BiSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.84
_cell_length_b   3.02
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Re2BiSe
_chemical_formula_sum   'Re2 Bi1 Se1'
_cell_volume   85.64
_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
  Re  Re0  1  0.0  0.5  0.49  1.0
  Re  Re1  1  0.92  0.0  0.59  1.0
  Bi  Bi2  1  0.92  0.0  0.02  1.0
  Se  Se3  1  0.0  0.5  0.98  1.0

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