data_RePbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePbSe2
_chemical_formula_sum   'Re1 Pb1 Se2'
_cell_volume   89.32
_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  0.0  1.0
  Pb  Pb0  1  0.8  0.0  0.0  1.0
  Se  Se2  1  0.9  0.09  0.0  1.0
  Se  Se3  1  0.9  0.91  0.0  1.0

data_RePbSe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.65
_cell_length_b   2.81
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   95.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   RePbSe2
_chemical_formula_sum   'Re1 Pb1 Se2'
_cell_volume   89.32
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  1.0
  Pb  Pb1  1  0.8  0.0  0.0  1.0
  Se  Se2  1  0.9  0.0  0.09  1.0
  Se  Se3  1  0.9  0.0  0.91  1.0

Re Pb Se Se