# generated using pymatgen
data_CaSnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83703079
_cell_length_b   6.83703100
_cell_length_c   10.36528592
_cell_angle_alpha   70.74310149
_cell_angle_beta   70.74310098
_cell_angle_gamma   59.99999414
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnS3
_chemical_formula_sum   'Ca3 Sn3 S9'
_cell_volume   387.99217184
_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  0.25845800  0.25845800  0.22462400  1.0
  Ca  Ca2  1  0.74154200  0.74154200  0.77537600  1.0
  Sn  Sn3  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn4  1  0.39175700  0.39175700  0.82472700  1.0
  Sn  Sn5  1  0.60824300  0.60824300  0.17527300  1.0
  S  S6  1  0.00000000  0.50000000  0.00000000  1.0
  S  S7  1  0.50000000  0.50000000  0.00000000  1.0
  S  S8  1  0.50000000  0.00000000  0.00000000  1.0
  S  S9  1  0.78156400  0.27171100  0.67501400  1.0
  S  S10  1  0.27171100  0.27171100  0.67501400  1.0
  S  S11  1  0.27171100  0.78156400  0.67501400  1.0
  S  S12  1  0.21843600  0.72828900  0.32498600  1.0
  S  S13  1  0.72828900  0.72828900  0.32498600  1.0
  S  S14  1  0.72828900  0.21843600  0.32498600  1.0