data_ReTeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   9.91
_cell_angle_alpha   96.92
_cell_angle_beta   96.92
_cell_angle_gamma   59.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTeSe2
_chemical_formula_sum   'Re1 Te1 Se2'
_cell_volume   89.51
_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  0.14  0.0  0.91  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.02  0.0  0.17  1.0
  Se  Se2  1  0.25  0.0  0.65  1.0

data_ReTeSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.25
_cell_length_c   9.91
_cell_angle_alpha   96.92
_cell_angle_beta   90.0
_cell_angle_gamma   119.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTeSe2
_chemical_formula_sum   'Re1 Te1 Se2'
_cell_volume   89.51
_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  0.86  0.09  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.75  0.35  1.0
  Se  Se3  1  0.0  0.98  0.83  1.0

Re Te Se Se