data_ReSiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   151.95
_cell_angle_beta   151.95
_cell_angle_gamma   40.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiSe
_chemical_formula_sum   'Re1 Si1 Se1'
_cell_volume   53.02
_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  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.0  0.36  1.0
  Se  Se1  1  0.0  0.0  0.32  1.0

data_ReSiSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   110.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReSiSe
_chemical_formula_sum   'Re2 Si2 Se2'
_cell_volume   106.04
_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
  Si  Si0  2  0.0  0.0  0.64  1.0
  Re  Re1  2  0.0  0.0  1.0  1.0
  Se  Se2  2  0.0  0.0  0.68  1.0

Re Si Se
Re Si Se 0 2 o o o 0 1 o o o 1 2 o o o 