data_SmAsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.94
_cell_length_b   3.97
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAsSe
_chemical_formula_sum   'Sm4 As4 Se4'
_cell_volume   285.8
_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
  Sm  Sm0  1  0.47  0.97  0.93  1.0
  Sm  Sm1  1  0.48  0.99  0.09  1.0
  Sm  Sm2  1  0.5  0.97  0.1  1.0
  Sm  Sm3  1  0.45  0.99  0.92  1.0
  As  As4  1  0.9  0.99  0.84  1.0
  As  As5  1  0.04  0.97  0.18  1.0
  As  As6  1  0.93  0.99  0.18  1.0
  As  As7  1  0.01  0.97  0.83  1.0
  Se  Se8  1  0.58  0.97  0.94  1.0
  Se  Se9  1  0.36  0.99  0.08  1.0
  Se  Se10  1  0.61  0.97  0.09  1.0
  Se  Se11  1  0.33  0.99  0.93  1.0

data_SmAsSe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.97
_cell_length_b   4.02
_cell_length_c   17.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SmAsSe
_chemical_formula_sum   'Sm4 As4 Se4'
_cell_volume   285.8
_cell_formula_units_Z   4
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
  Sm  Sm0  2  0.49  0.09  0.02  1.0
  Sm  Sm1  2  0.49  0.92  1.0  1.0
  As  As2  2  0.49  0.17  0.57  1.0
  As  As3  2  0.49  0.82  0.54  1.0
  Se  Se4  2  0.49  0.08  0.14  1.0
  Se  Se5  2  0.49  0.93  0.11  1.0

Sm Sm Sm Sm As As As As Se Se Se Se