# generated using pymatgen
data_LaYbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61995565
_cell_length_b   6.61995565
_cell_length_c   9.54758564
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.52299412
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYbS3
_chemical_formula_sum   'La2 Yb2 S6'
_cell_volume   236.85253844
_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
  La  La0  1  0.25394721  0.74605279  0.75000000  1.0
  La  La1  1  0.74605279  0.25394721  0.25000000  1.0
  Yb  Yb2  1  0.00000000  0.00000000  0.00000000  1.0
  Yb  Yb3  1  0.00000000  0.00000000  0.50000000  1.0
  S  S4  1  0.08347212  0.91652788  0.25000000  1.0
  S  S5  1  0.91652788  0.08347212  0.75000000  1.0
  S  S6  1  0.63996071  0.36003929  0.56149241  1.0
  S  S7  1  0.36003929  0.63996071  0.43850759  1.0
  S  S8  1  0.63996071  0.36003929  0.93850759  1.0
  S  S9  1  0.36003929  0.63996071  0.06149241  1.0