# generated using pymatgen
data_CaSn2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18050500
_cell_length_b   11.73524303
_cell_length_c   10.22778119
_cell_angle_alpha   92.92217272
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.75157665
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2S5
_chemical_formula_sum   'Ca3 Sn6 S15'
_cell_volume   605.62796324
_cell_formula_units_Z   3
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  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.85730000  0.71460100  0.49847300  1.0
  Ca  Ca2  1  0.14270000  0.28539900  0.50152700  1.0
  Sn  Sn3  1  0.34830100  0.69660100  0.81423700  1.0
  Sn  Sn4  1  0.65169900  0.30339900  0.18576300  1.0
  Sn  Sn5  1  0.73009100  0.46018200  0.84526300  1.0
  Sn  Sn6  1  0.26990900  0.53981800  0.15473700  1.0
  Sn  Sn7  1  0.54659400  0.09318800  0.72752000  1.0
  Sn  Sn8  1  0.45340600  0.90681200  0.27248000  1.0
  S  S9  1  0.50000000  0.00000000  0.50000000  1.0
  S  S10  1  0.85510800  0.71021600  0.78080700  1.0
  S  S11  1  0.14489200  0.28978400  0.21919300  1.0
  S  S12  1  0.23534000  0.47068100  0.86566500  1.0
  S  S13  1  0.76466000  0.52931900  0.13433500  1.0
  S  S14  1  0.04919600  0.09839200  0.67839300  1.0
  S  S15  1  0.95080400  0.90160800  0.32160700  1.0
  S  S16  1  0.66706000  0.33412000  0.60590400  1.0
  S  S17  1  0.33294000  0.66588000  0.39409600  1.0
  S  S18  1  0.46281000  0.92562100  0.87561500  1.0
  S  S19  1  0.53719000  0.07437900  0.12438500  1.0
  S  S20  1  0.62425200  0.24850400  0.91986300  1.0
  S  S21  1  0.37574800  0.75149600  0.08013700  1.0
  S  S22  1  0.28840000  0.57680000  0.56642300  1.0
  S  S23  1  0.71160000  0.42320000  0.43357700  1.0