data_ReAuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.62
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   101.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAuSe2
_chemical_formula_sum   'Re1 Au1 Se2'
_cell_volume   86.89
_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  0.25  0.0  0.97  1.0
  Au  Au0  1  0.55  0.81  0.64  1.0
  Se  Se2  1  0.26  0.81  0.61  1.0
  Se  Se3  1  0.23  0.0  0.48  1.0

data_ReAuSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.62
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   101.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAuSe2
_chemical_formula_sum   'Re1 Au1 Se2'
_cell_volume   86.89
_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  0.25  0.0  0.97  1.0
  Au  Au1  1  0.55  0.81  0.64  1.0
  Se  Se2  1  0.23  0.0  0.48  1.0
  Se  Se3  1  0.26  0.81  0.61  1.0

Re Au Se Se