data_Gd3Se3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.69
_cell_length_b   4.02
_cell_length_c   13.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3Se3N
_chemical_formula_sum   'Gd12 Se12 N4'
_cell_volume   677.76
_cell_formula_units_Z   4
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
  Gd  Gd0  1  0.83  0.0  0.42  1.0
  Gd  Gd1  1  0.18  0.0  0.52  1.0
  Gd  Gd2  1  0.86  0.01  0.88  1.0
  Gd  Gd3  1  0.52  0.01  0.77  1.0
  Gd  Gd4  1  0.96  0.0  0.52  1.0
  Gd  Gd5  1  0.61  0.0  0.42  1.0
  Gd  Gd6  1  0.74  0.01  0.77  1.0
  Gd  Gd7  1  0.08  0.01  0.87  1.0
  Gd  Gd8  1  0.87  0.0  0.64  1.0
  Gd  Gd9  1  0.52  0.0  0.01  1.0
  Gd  Gd10  1  0.82  0.01  0.65  1.0
  Gd  Gd11  1  0.17  0.01  0.29  1.0
  Se  Se12  1  0.04  0.0  0.06  1.0
  Se  Se13  1  0.69  0.0  0.58  1.0
  Se  Se14  1  0.65  0.01  0.23  1.0
  Se  Se15  1  0.0  0.01  0.71  1.0
  Se  Se16  1  0.21  0.0  0.27  1.0
  Se  Se17  1  0.55  0.0  0.38  1.0
  Se  Se18  1  0.49  0.01  0.03  1.0
  Se  Se19  1  0.14  0.01  0.91  1.0
  Se  Se20  1  0.84  0.0  0.14  1.0
  Se  Se21  1  0.49  0.0  0.51  1.0
  Se  Se22  1  0.85  0.01  0.16  1.0
  Se  Se23  1  0.2  0.01  0.78  1.0
  N  N24  1  0.49  0.0  0.59  1.0
  N  N25  1  0.84  0.0  0.35  1.0
  N  N26  1  0.2  0.01  0.7  1.0
  N  N27  1  0.86  0.01  0.94  1.0

data_Gd3Se3N
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   12.69
_cell_length_b   4.02
_cell_length_c   13.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   Gd3Se3N
_chemical_formula_sum   'Gd12 Se12 N4'
_cell_volume   677.76
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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
  Gd  Gd0  2  0.17  0.0  0.62  1.0
  Gd  Gd1  2  0.18  0.0  0.86  1.0
  Gd  Gd2  2  0.26  0.0  0.27  1.0
  Gd  Gd3  2  0.39  0.0  0.63  1.0
  Gd  Gd4  2  0.48  0.0  0.51  1.0
  Gd  Gd5  2  0.48  0.0  0.27  1.0
  Se  Se6  2  0.14  0.0  0.88  1.0
  Se  Se7  2  0.15  0.0  0.36  1.0
  Se  Se8  2  0.21  0.0  0.23  1.0
  Se  Se9  2  0.31  0.0  0.08  1.0
  Se  Se10  2  0.35  0.0  0.44  1.0
  Se  Se11  2  0.49  0.0  0.99  1.0
  N  N12  2  0.14  0.0  0.44  1.0
  N  N13  2  0.49  0.0  0.2  1.0

Gd Gd Gd Gd Gd Gd Gd Gd Gd Gd Gd Gd Se Se Se Se Se Se Se Se Se Se Se Se N N N N