# generated using pymatgen
data_Ca3Sn2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.25480904
_cell_length_b   12.25480904
_cell_length_c   12.25480904
_cell_angle_alpha   156.43633757
_cell_angle_beta   156.43633757
_cell_angle_gamma   33.56771831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Sn2S7
_chemical_formula_sum   'Ca3 Sn2 S7'
_cell_volume   293.84874621
_cell_formula_units_Z   1
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  0.50000000  0.00000000  1.0
  Ca  Ca1  1  0.32823000  0.32823000  0.00000000  1.0
  Ca  Ca2  1  0.67177000  0.67177000  0.00000000  1.0
  Sn  Sn3  1  0.11129000  0.11129000  0.00000000  1.0
  Sn  Sn4  1  0.88871000  0.88871000  0.00000000  1.0
  S  S5  1  0.00000000  0.00000000  0.00000000  1.0
  S  S6  1  0.09025900  0.59025900  0.50000000  1.0
  S  S7  1  0.59025900  0.09025900  0.50000000  1.0
  S  S8  1  0.90974100  0.40974100  0.50000000  1.0
  S  S9  1  0.40974100  0.90974100  0.50000000  1.0
  S  S10  1  0.21346100  0.21346100  0.00000000  1.0
  S  S11  1  0.78653900  0.78653900  0.00000000  1.0