# generated using pymatgen
data_CaSn3S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58560300
_cell_length_b   6.72816400
_cell_length_c   13.48580800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn3S7
_chemical_formula_sum   'Ca2 Sn6 S14'
_cell_volume   597.54289624
_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  0.88386100  0.50000000  0.00000000  1.0
  Ca  Ca1  1  0.11613900  0.00000000  0.50000000  1.0
  Sn  Sn2  1  0.36223900  0.50000000  0.76930400  1.0
  Sn  Sn3  1  0.36223900  0.50000000  0.23069600  1.0
  Sn  Sn4  1  0.63776100  0.00000000  0.73069600  1.0
  Sn  Sn5  1  0.63776100  0.00000000  0.26930400  1.0
  Sn  Sn6  1  0.39954000  0.00000000  0.00000000  1.0
  Sn  Sn7  1  0.60046000  0.50000000  0.50000000  1.0
  S  S8  1  0.04622700  0.00000000  0.00000000  1.0
  S  S9  1  0.95377300  0.50000000  0.50000000  1.0
  S  S10  1  0.01715900  0.50000000  0.80833800  1.0
  S  S11  1  0.01715900  0.50000000  0.19166200  1.0
  S  S12  1  0.98284100  0.00000000  0.69166200  1.0
  S  S13  1  0.98284100  0.00000000  0.30833800  1.0
  S  S14  1  0.57422600  0.24940100  0.87402900  1.0
  S  S15  1  0.57422600  0.75059900  0.87402900  1.0
  S  S16  1  0.57422600  0.24940100  0.12597100  1.0
  S  S17  1  0.57422600  0.75059900  0.12597100  1.0
  S  S18  1  0.42577400  0.25059900  0.62597100  1.0
  S  S19  1  0.42577400  0.74940100  0.62597100  1.0
  S  S20  1  0.42577400  0.25059900  0.37402900  1.0
  S  S21  1  0.42577400  0.74940100  0.37402900  1.0