data_SmMg2W3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   7.47
_cell_angle_alpha   117.5
_cell_angle_beta   117.5
_cell_angle_gamma   62.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmMg2W3S8
_chemical_formula_sum   'Sm1 Mg2 W3 S8'
_cell_volume   294.19
_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
  Sm  Sm0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.17  0.0  0.76  1.0
  Mg  Mg2  1  0.17  0.0  0.52  1.0
  W  W3  1  0.98  0.0  0.14  1.0
  W  W4  1  0.08  0.11  0.14  1.0
  W  W5  1  0.08  0.89  0.14  1.0
  S  S6  1  0.1  0.0  0.53  1.0
  S  S7  1  0.32  0.0  0.43  1.0
  S  S8  1  0.15  0.05  0.49  1.0
  S  S9  1  0.15  0.95  0.49  1.0
  S  S10  1  0.2  0.95  0.79  1.0
  S  S11  1  0.2  0.05  0.79  1.0
  S  S12  1  0.25  0.0  0.75  1.0
  S  S13  1  0.03  0.0  0.85  1.0

data_SmMg2W3S8
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   7.47
_cell_angle_alpha   62.5
_cell_angle_beta   62.5
_cell_angle_gamma   62.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmMg2W3S8
_chemical_formula_sum   'Sm1 Mg2 W3 S8'
_cell_volume   294.19
_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
  Sm  Sm0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.83  0.0  0.76  1.0
  Mg  Mg2  1  0.83  0.0  0.52  1.0
  W  W3  1  0.02  0.0  0.14  1.0
  W  W4  1  0.92  0.11  0.14  1.0
  W  W5  1  0.92  0.89  0.14  1.0
  S  S6  1  0.68  0.0  0.43  1.0
  S  S7  1  0.75  0.0  0.75  1.0
  S  S8  1  0.8  0.05  0.79  1.0
  S  S9  1  0.8  0.95  0.79  1.0
  S  S10  1  0.85  0.05  0.49  1.0
  S  S11  1  0.85  0.95  0.49  1.0
  S  S12  1  0.9  0.0  0.53  1.0
  S  S13  1  0.97  0.0  0.85  1.0

Sm Mg Mg W W W S S S S S S S S
Sm Mg Mg W W W S S S S S S S S 0 3 - o o 0 13 o o - 0 4 o o o 1 11 o o o 1 10 o - o 1 12 o o o 2 9 o - o 2 6 o o o 2 7 o o o 2 8 o o o 3 5 + - o 3 4 + o o 6 9 o - o 7 8 o o o 10 13 o + o 11 12 o o o 