data_RePdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   10.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePdSe2
_chemical_formula_sum   'Re1 Pd1 Se2'
_cell_volume   74.59
_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  0.52  0.0  0.57  1.0
  Pd  Pd0  1  0.0  0.0  0.87  1.0
  Se  Se2  1  0.0  0.0  0.56  1.0
  Se  Se3  1  0.52  0.0  0.06  1.0

data_RePdSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   10.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePdSe2
_chemical_formula_sum   'Re1 Pd1 Se2'
_cell_volume   74.59
_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  0.52  0.0  0.57  1.0
  Pd  Pd1  1  0.0  0.0  0.87  1.0
  Se  Se2  1  0.0  0.0  0.56  1.0
  Se  Se3  1  0.52  0.0  0.06  1.0

Re Pd Se Se