data_Sm3HoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.27
_cell_length_b   13.27
_cell_length_c   13.27
_cell_angle_alpha   17.17
_cell_angle_beta   17.17
_cell_angle_gamma   17.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3HoS4
_chemical_formula_sum   'Sm3 Ho1 S4'
_cell_volume   177.8
_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  0.45  1.0
  Sm  Sm1  1  0.0  0.0  0.0  1.0
  Sm  Sm2  1  0.0  0.0  0.78  1.0
  Ho  Ho3  1  0.0  0.0  0.61  1.0
  S  S4  1  0.0  0.0  0.22  1.0
  S  S5  1  0.0  0.0  0.5  1.0
  S  S6  1  0.0  0.0  0.01  1.0
  S  S7  1  0.0  0.0  0.72  1.0

data_Sm3HoS4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.86
_cell_length_b   3.96
_cell_length_c   13.27
_cell_angle_alpha   90.0
_cell_angle_beta   99.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sm3HoS4
_chemical_formula_sum   'Sm6 Ho2 S8'
_cell_volume   355.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Sm  Sm1  2  0.0  0.0  0.22  1.0
  Sm  Sm2  2  0.0  0.0  0.55  1.0
  Ho  Ho3  2  0.0  0.0  0.39  1.0
  S  S4  2  0.0  0.0  0.28  1.0
  S  S5  2  0.0  0.0  0.5  1.0
  S  S6  2  0.0  0.0  0.78  1.0
  S  S7  2  0.0  0.0  0.99  1.0

Sm Sm Sm Ho S S S S
Sm Sm Sm Ho S S S S 0 5 o o o 0 4 o o o 1 6 o o o 1 4 o o o 2 7 o o o 3 5 o o o 3 7 o o o 4 6 o o o 