# generated using pymatgen
data_CaSnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.02415400
_cell_length_b   5.02383600
_cell_length_c   10.01710818
_cell_angle_alpha   89.17073270
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnS3
_chemical_formula_sum   'Ca4 Sn4 S12'
_cell_volume   504.40578386
_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  0.50000000  0.09648400  0.01582700  1.0
  Ca  Ca1  1  0.00000000  0.11112100  0.98505200  1.0
  Ca  Ca2  1  0.50000000  0.10189400  0.54028200  1.0
  Ca  Ca3  1  0.00000000  0.06204200  0.40491100  1.0
  Sn  Sn4  1  0.75253100  0.51144500  0.73924000  1.0
  Sn  Sn5  1  0.74217700  0.49884900  0.25815400  1.0
  Sn  Sn6  1  0.24746900  0.51144500  0.73924000  1.0
  Sn  Sn7  1  0.25782300  0.49884900  0.25815400  1.0
  S  S8  1  0.73304300  0.44374500  0.99909700  1.0
  S  S9  1  0.26695700  0.44374500  0.99909700  1.0
  S  S10  1  0.76112300  0.30595100  0.49900700  1.0
  S  S11  1  0.23887700  0.30595100  0.49900700  1.0
  S  S12  1  0.73526600  0.99871700  0.82053000  1.0
  S  S13  1  0.76632000  0.98828600  0.18983500  1.0
  S  S14  1  0.26473400  0.99871700  0.82053000  1.0
  S  S15  1  0.23368000  0.98828600  0.18983500  1.0
  S  S16  1  0.50000000  0.57284100  0.67326000  1.0
  S  S17  1  0.00000000  0.54154400  0.27060400  1.0
  S  S18  1  0.50000000  0.35839300  0.27331800  1.0
  S  S19  1  0.00000000  0.39849400  0.74633400  1.0