data_Re2BSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2BSe
_chemical_formula_sum   'Re2 B1 Se1'
_cell_volume   51.58
_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  0.08  0.48  1.0
  Re  Re2  1  0.08  0.0  0.48  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.08  0.08  0.0  1.0

data_Re2BSe
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   2.97
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   Re2BSe
_chemical_formula_sum   'Re4 B2 Se2'
_cell_volume   103.16
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  4  0.5  0.04  0.04  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Se  Se2  2  0.0  0.0  0.08  1.0

Re Re B Se
Re Re B Se 0 1 o o o 2 3 o o o 