# generated using pymatgen
data_CaSnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06442163
_cell_length_b   9.06442163
_cell_length_c   9.06442163
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnS3
_chemical_formula_sum   'Ca4 Sn4 S12'
_cell_volume   526.62963818
_cell_formula_units_Z   4
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  0.62500000  0.12500000  0.12500000  1.0
  Ca  Ca1  1  0.12500000  0.62500000  0.12500000  1.0
  Ca  Ca2  1  0.12500000  0.12500000  0.62500000  1.0
  Ca  Ca3  1  0.12500000  0.12500000  0.12500000  1.0
  Sn  Sn4  1  0.12500000  0.62500000  0.62500000  1.0
  Sn  Sn5  1  0.62500000  0.12500000  0.62500000  1.0
  Sn  Sn6  1  0.62500000  0.62500000  0.12500000  1.0
  Sn  Sn7  1  0.62500000  0.62500000  0.62500000  1.0
  S  S8  1  0.97128400  0.97128400  0.52871600  1.0
  S  S9  1  0.52871600  0.52871600  0.97128400  1.0
  S  S10  1  0.97128400  0.52871600  0.97128400  1.0
  S  S11  1  0.52871600  0.97128400  0.52871600  1.0
  S  S12  1  0.52871600  0.97128400  0.97128400  1.0
  S  S13  1  0.97128400  0.52871600  0.52871600  1.0
  S  S14  1  0.27871600  0.27871600  0.72128400  1.0
  S  S15  1  0.72128400  0.72128400  0.27871600  1.0
  S  S16  1  0.27871600  0.72128400  0.27871600  1.0
  S  S17  1  0.72128400  0.27871600  0.72128400  1.0
  S  S18  1  0.72128400  0.27871600  0.27871600  1.0
  S  S19  1  0.27871600  0.72128400  0.72128400  1.0