# generated using pymatgen
data_Sm3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33510527
_cell_length_b   7.33510629
_cell_length_c   7.33510678
_cell_angle_alpha   109.47121624
_cell_angle_beta   109.47121907
_cell_angle_gamma   109.47122354
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3S4
_chemical_formula_sum   'Sm6 S8'
_cell_volume   303.80668643
_cell_formula_units_Z   2
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  0.75000000  0.87500000  0.12500000  1.0
  Sm  Sm1  1  0.62500000  0.37500000  0.25000000  1.0
  Sm  Sm2  1  0.87500000  0.12500000  0.75000000  1.0
  Sm  Sm3  1  0.12500000  0.75000000  0.87500000  1.0
  Sm  Sm4  1  0.37500000  0.25000000  0.62500000  1.0
  Sm  Sm5  1  0.25000000  0.62500000  0.37500000  1.0
  S  S6  1  0.64645635  0.64645635  0.64645635  1.0
  S  S7  1  0.35354365  0.50000000  -0.00000000  1.0
  S  S8  1  0.50000000  0.00000000  0.35354365  1.0
  S  S9  1  0.00000000  0.35354365  0.50000000  1.0
  S  S10  1  0.50000000  0.00000000  0.85354365  1.0
  S  S11  1  0.00000000  0.85354365  0.50000000  1.0
  S  S12  1  0.14645635  0.14645635  0.14645635  1.0
  S  S13  1  0.85354365  0.50000000  -0.00000000  1.0