data_YReSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   5.18
_cell_angle_alpha   103.72
_cell_angle_beta   103.72
_cell_angle_gamma   40.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YReSe2
_chemical_formula_sum   'Y1 Re1 Se2'
_cell_volume   79.08
_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
  Y  Y3  1  0.89  0.0  0.7  1.0
  Re  Re0  1  0.72  0.0  0.66  1.0
  Se  Se1  1  0.08  0.0  0.39  1.0
  Se  Se2  1  0.29  0.0  0.77  1.0

data_YReSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.95
_cell_length_c   5.18
_cell_angle_alpha   103.72
_cell_angle_beta   90.0
_cell_angle_gamma   110.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YReSe2
_chemical_formula_sum   'Y1 Re1 Se2'
_cell_volume   79.08
_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
  Y  Y0  1  0.0  0.11  0.3  1.0
  Re  Re1  1  0.0  0.28  0.34  1.0
  Se  Se2  1  0.0  0.71  0.23  1.0
  Se  Se3  1  0.0  0.92  0.61  1.0

Y Re Se Se