# generated using pymatgen
data_CaSnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.20624480
_cell_length_b   10.20624480
_cell_length_c   10.20624455
_cell_angle_alpha   38.69621169
_cell_angle_beta   38.69621169
_cell_angle_gamma   38.69620872
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnS3
_chemical_formula_sum   'Ca3 Sn3 S9'
_cell_volume   373.49804603
_cell_formula_units_Z   3
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  0.00000000  1.0
  Ca  Ca1  1  0.78325600  0.78325600  0.78325600  1.0
  Ca  Ca2  1  0.21674400  0.21674400  0.21674400  1.0
  Sn  Sn3  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn4  1  0.61040300  0.61040300  0.61040300  1.0
  Sn  Sn5  1  0.38959700  0.38959700  0.38959700  1.0
  S  S6  1  0.50000000  0.50000000  0.00000000  1.0
  S  S7  1  0.00000000  0.50000000  0.50000000  1.0
  S  S8  1  0.50000000  0.00000000  0.50000000  1.0
  S  S9  1  0.72850800  0.72850800  0.20788100  1.0
  S  S10  1  0.20788100  0.72850800  0.72850800  1.0
  S  S11  1  0.72850800  0.20788100  0.72850800  1.0
  S  S12  1  0.27149200  0.27149200  0.79211900  1.0
  S  S13  1  0.79211900  0.27149200  0.27149200  1.0
  S  S14  1  0.27149200  0.79211900  0.27149200  1.0