data_Re2SiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   129.69
_cell_angle_beta   129.69
_cell_angle_gamma   73.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2SiSe
_chemical_formula_sum   'Re2 Si1 Se1'
_cell_volume   60.56
_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  0.88  1.0
  Re  Re1  1  0.0  0.0  0.77  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.0  0.88  1.0

data_Re2SiSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   126.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re2SiSe
_chemical_formula_sum   'Re4 Si2 Se2'
_cell_volume   121.12
_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  0.0  1.0
  Re  Re1  2  0.0  0.0  0.77  1.0
  Re  Re2  2  0.5  0.5  0.88  1.0
  Se  Se3  2  0.5  0.5  0.88  1.0
