# generated using pymatgen
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71569200
_cell_length_b   13.21246200
_cell_length_c   13.42901400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SnS4
_chemical_formula_sum   'Ca8 Sn4 S16'
_cell_volume   659.27648439
_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  0.75000000  0.39500100  0.42165200  1.0
  Ca  Ca1  1  0.75000000  0.89500100  0.07834800  1.0
  Ca  Ca2  1  0.25000000  0.60499900  0.57834800  1.0
  Ca  Ca3  1  0.25000000  0.10499900  0.92165200  1.0
  Ca  Ca4  1  0.75000000  0.35408200  0.78143400  1.0
  Ca  Ca5  1  0.75000000  0.85408200  0.71856600  1.0
  Ca  Ca6  1  0.25000000  0.64591800  0.21856600  1.0
  Ca  Ca7  1  0.25000000  0.14591800  0.28143400  1.0
  Sn  Sn8  1  0.25000000  0.37226700  0.08112800  1.0
  Sn  Sn9  1  0.25000000  0.87226700  0.41887200  1.0
  Sn  Sn10  1  0.75000000  0.62773300  0.91887200  1.0
  Sn  Sn11  1  0.75000000  0.12773300  0.58112800  1.0
  S  S12  1  0.25000000  0.20184600  0.72895200  1.0
  S  S13  1  0.25000000  0.70184600  0.77104800  1.0
  S  S14  1  0.75000000  0.79815400  0.27104800  1.0
  S  S15  1  0.75000000  0.29815400  0.22895200  1.0
  S  S16  1  0.25000000  0.03800700  0.11615000  1.0
  S  S17  1  0.25000000  0.53800700  0.38385000  1.0
  S  S18  1  0.75000000  0.96199300  0.88385000  1.0
  S  S19  1  0.75000000  0.46199300  0.61615000  1.0
  S  S20  1  0.75000000  0.27130900  0.97696200  1.0
  S  S21  1  0.75000000  0.77130900  0.52303800  1.0
  S  S22  1  0.25000000  0.72869100  0.02303800  1.0
  S  S23  1  0.25000000  0.22869100  0.47696200  1.0
  S  S24  1  0.25000000  0.48169500  0.89616800  1.0
  S  S25  1  0.25000000  0.98169500  0.60383200  1.0
  S  S26  1  0.75000000  0.51830500  0.10383200  1.0
  S  S27  1  0.75000000  0.01830500  0.39616800  1.0