# generated using pymatgen
data_CaSnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80576442
_cell_length_b   6.80576442
_cell_length_c   25.42455400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000407
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnS3
_chemical_formula_sum   'Ca8 Sn8 S24'
_cell_volume   1019.85347728
_cell_formula_units_Z   8
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  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.25000000  1.0
  Ca  Ca3  1  0.00000000  0.00000000  0.75000000  1.0
  Ca  Ca4  1  0.33333300  0.66666700  0.41373600  1.0
  Ca  Ca5  1  0.66666700  0.33333300  0.58626400  1.0
  Ca  Ca6  1  0.66666700  0.33333300  0.91373600  1.0
  Ca  Ca7  1  0.33333300  0.66666700  0.08626400  1.0
  Sn  Sn8  1  0.33333300  0.66666700  0.93359400  1.0
  Sn  Sn9  1  0.66666700  0.33333300  0.06640600  1.0
  Sn  Sn10  1  0.66666700  0.33333300  0.43359400  1.0
  Sn  Sn11  1  0.33333300  0.66666700  0.56640600  1.0
  Sn  Sn12  1  0.33333300  0.66666700  0.81139100  1.0
  Sn  Sn13  1  0.66666700  0.33333300  0.18860900  1.0
  Sn  Sn14  1  0.66666700  0.33333300  0.31139100  1.0
  Sn  Sn15  1  0.33333300  0.66666700  0.68860900  1.0
  S  S16  1  0.50000000  0.50000000  0.50000000  1.0
  S  S17  1  0.50000000  0.00000000  0.50000000  1.0
  S  S18  1  0.00000000  0.50000000  0.50000000  1.0
  S  S19  1  0.50000000  0.50000000  0.00000000  1.0
  S  S20  1  0.50000000  0.00000000  0.00000000  1.0
  S  S21  1  0.00000000  0.50000000  0.00000000  1.0
  S  S22  1  0.49775400  0.50224600  0.25000000  1.0
  S  S23  1  0.49775400  0.99550700  0.25000000  1.0
  S  S24  1  0.00449300  0.50224600  0.25000000  1.0
  S  S25  1  0.50224600  0.49775400  0.75000000  1.0
  S  S26  1  0.50224600  0.00449300  0.75000000  1.0
  S  S27  1  0.99550700  0.49775400  0.75000000  1.0
  S  S28  1  0.83836300  0.16163700  0.37727000  1.0
  S  S29  1  0.83836300  0.67672600  0.37727000  1.0
  S  S30  1  0.32327400  0.16163700  0.37727000  1.0
  S  S31  1  0.16163700  0.83836300  0.62273000  1.0
  S  S32  1  0.16163700  0.32327400  0.62273000  1.0
  S  S33  1  0.67672600  0.83836300  0.62273000  1.0
  S  S34  1  0.16163700  0.83836300  0.87727000  1.0
  S  S35  1  0.16163700  0.32327400  0.87727000  1.0
  S  S36  1  0.67672600  0.83836300  0.87727000  1.0
  S  S37  1  0.83836300  0.16163700  0.12273000  1.0
  S  S38  1  0.83836300  0.67672600  0.12273000  1.0
  S  S39  1  0.32327400  0.16163700  0.12273000  1.0