data_Re2AsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   139.07
_cell_angle_beta   139.07
_cell_angle_gamma   59.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2AsSe2
_chemical_formula_sum   'Re2 As1 Se2'
_cell_volume   94.48
_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  0.47  1.0
  Re  Re2  1  0.0  0.0  0.06  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.12  0.63  1.0
  Se  Se4  1  0.12  0.0  0.63  1.0

data_Re2AsSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   119.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re2AsSe2
_chemical_formula_sum   'Re4 As2 Se4'
_cell_volume   188.97
_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
  Re  Re0  2  0.06  0.0  0.06  1.0
  Re  Re1  2  0.47  0.0  0.47  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  Se  Se3  4  0.07  0.44  0.52  1.0

Re Re As Se Se