# generated using pymatgen
data_Ca3Sn2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.71018717
_cell_length_b   12.71018717
_cell_length_c   6.99224600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   147.73884268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Sn2S7
_chemical_formula_sum   'Ca6 Sn4 S14'
_cell_volume   602.95129783
_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  0.50000000  0.00000000  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.50000000  0.00000000  1.0
  Ca  Ca2  1  0.71000300  0.85094700  0.50000000  1.0
  Ca  Ca3  1  0.28999700  0.14905300  0.50000000  1.0
  Ca  Ca4  1  0.14905300  0.28999700  0.00000000  1.0
  Ca  Ca5  1  0.85094700  0.71000300  0.00000000  1.0
  Sn  Sn6  1  0.89895200  0.61499400  0.50000000  1.0
  Sn  Sn7  1  0.10104800  0.38500600  0.50000000  1.0
  Sn  Sn8  1  0.38500600  0.10104800  0.00000000  1.0
  Sn  Sn9  1  0.61499400  0.89895200  0.00000000  1.0
  S  S10  1  0.00000000  0.50000000  0.50000000  1.0
  S  S11  1  0.50000000  0.00000000  0.00000000  1.0
  S  S12  1  0.17406400  0.82593600  0.25000000  1.0
  S  S13  1  0.82593600  0.17406400  0.25000000  1.0
  S  S14  1  0.82593600  0.17406400  0.75000000  1.0
  S  S15  1  0.17406400  0.82593600  0.75000000  1.0
  S  S16  1  0.88008700  0.79280100  0.50000000  1.0
  S  S17  1  0.11991300  0.20719900  0.50000000  1.0
  S  S18  1  0.20719900  0.11991300  0.00000000  1.0
  S  S19  1  0.79280100  0.88008700  0.00000000  1.0
  S  S20  1  0.37747200  0.62252800  0.25000000  1.0
  S  S21  1  0.62252800  0.37747200  0.25000000  1.0
  S  S22  1  0.62252800  0.37747200  0.75000000  1.0
  S  S23  1  0.37747200  0.62252800  0.75000000  1.0