data_ReSnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   5.64
_cell_angle_alpha   104.07
_cell_angle_beta   104.07
_cell_angle_gamma   29.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSnSe2
_chemical_formula_sum   'Re1 Sn1 Se2'
_cell_volume   102.36
_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  0.57  0.0  0.62  1.0
  Sn  Sn3  1  0.35  0.0  0.38  1.0
  Se  Se1  1  0.69  0.0  0.76  1.0
  Se  Se2  1  0.12  0.0  0.42  1.0

data_ReSnSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.64
_cell_length_c   6.16
_cell_angle_alpha   104.07
_cell_angle_beta   104.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSnSe2
_chemical_formula_sum   'Re1 Sn1 Se2'
_cell_volume   102.36
_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  0.62  0.57  1.0
  Sn  Sn1  1  0.0  0.38  0.35  1.0
  Se  Se2  1  0.0  0.42  0.12  1.0
  Se  Se3  1  0.0  0.76  0.69  1.0

Re Sn Se Se