# generated using pymatgen
data_CaSn4S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87646600
_cell_length_b   8.29075638
_cell_length_c   12.31028103
_cell_angle_alpha   100.69261728
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn4S9
_chemical_formula_sum   'Ca2 Sn8 S18'
_cell_volume   689.63676685
_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
  Ca  Ca0  1  0.22179900  0.00000000  0.25000000  1.0
  Ca  Ca1  1  0.77820100  0.00000000  0.75000000  1.0
  Sn  Sn2  1  0.22155800  0.42629000  0.06125500  1.0
  Sn  Sn3  1  0.22155800  0.57371000  0.43874500  1.0
  Sn  Sn4  1  0.77844200  0.57371000  0.93874500  1.0
  Sn  Sn5  1  0.77844200  0.42629000  0.56125500  1.0
  Sn  Sn6  1  0.69972000  0.30666800  0.16224700  1.0
  Sn  Sn7  1  0.69972000  0.69333200  0.33775300  1.0
  Sn  Sn8  1  0.30028000  0.69333200  0.83775300  1.0
  Sn  Sn9  1  0.30028000  0.30666800  0.66224700  1.0
  S  S10  1  0.84607300  0.02106500  0.16985000  1.0
  S  S11  1  0.84607300  0.97893500  0.33015000  1.0
  S  S12  1  0.15392700  0.97893500  0.83015000  1.0
  S  S13  1  0.15392700  0.02106500  0.66985000  1.0
  S  S14  1  0.38716600  0.16403500  0.09466700  1.0
  S  S15  1  0.38716600  0.83596500  0.40533300  1.0
  S  S16  1  0.61283400  0.83596500  0.90533300  1.0
  S  S17  1  0.61283400  0.16403500  0.59466700  1.0
  S  S18  1  0.43352500  0.39631500  0.86521400  1.0
  S  S19  1  0.43352500  0.60368500  0.63478600  1.0
  S  S20  1  0.56647500  0.60368500  0.13478600  1.0
  S  S21  1  0.56647500  0.39631500  0.36521400  1.0
  S  S22  1  0.89515900  0.27736800  0.97951600  1.0
  S  S23  1  0.89515900  0.72263200  0.52048400  1.0
  S  S24  1  0.10484100  0.72263200  0.02048400  1.0
  S  S25  1  0.10484100  0.27736800  0.47951600  1.0
  S  S26  1  0.02400900  0.50000000  0.25000000  1.0
  S  S27  1  0.97599100  0.50000000  0.75000000  1.0