# generated using pymatgen
data_CsThMnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97930258
_cell_length_b   7.97930140
_cell_length_c   10.78581397
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   149.67759888
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsThMnS3
_chemical_formula_sum   'Cs2 Th2 Mn2 S6'
_cell_volume   346.70341740
_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
  Cs  Cs0  1  0.26180446  0.73819554  0.25000000  1.0
  Cs  Cs1  1  0.73819554  0.26180446  0.75000000  1.0
  Th  Th2  1  0.00000000  0.00000000  0.00000000  1.0
  Th  Th3  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn4  1  0.53173482  0.46826518  0.25000000  1.0
  Mn  Mn5  1  0.46826518  0.53173482  0.75000000  1.0
  S  S6  1  0.61523671  0.38476329  0.06375465  1.0
  S  S7  1  0.38476329  0.61523671  0.93624535  1.0
  S  S8  1  0.38476329  0.61523671  0.56375465  1.0
  S  S9  1  0.61523671  0.38476329  0.43624535  1.0
  S  S10  1  0.94959864  0.05040136  0.25000000  1.0
  S  S11  1  0.05040136  0.94959864  0.75000000  1.0