# generated using pymatgen
data_Sn3S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.28788759
_cell_length_b   13.28788759
_cell_length_c   16.06265113
_cell_angle_alpha   74.32474244
_cell_angle_beta   74.32474244
_cell_angle_gamma   59.96562051
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3S7
_chemical_formula_sum   'Sn12 S28'
_cell_volume   2332.81917539
_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
  Sn  Sn0  1  0.76770200  0.44533500  0.23240100  1.0
  Sn  Sn1  1  0.44533500  0.76770200  0.73240100  1.0
  Sn  Sn2  1  0.50314500  0.43217500  0.23571600  1.0
  Sn  Sn3  1  0.43217500  0.50314500  0.73571600  1.0
  Sn  Sn4  1  0.19213000  0.58136400  0.25590700  1.0
  Sn  Sn5  1  0.58136400  0.19213000  0.75590700  1.0
  Sn  Sn6  1  0.78178100  0.16943300  0.23246700  1.0
  Sn  Sn7  1  0.16943300  0.78178100  0.73246700  1.0
  Sn  Sn8  1  0.92570400  0.85974200  0.25560100  1.0
  Sn  Sn9  1  0.85974200  0.92570400  0.75560100  1.0
  Sn  Sn10  1  0.91333500  0.59305200  0.25692500  1.0
  Sn  Sn11  1  0.59305200  0.91333500  0.75692500  1.0
  S  S12  1  0.66109800  0.32616300  0.34095400  1.0
  S  S13  1  0.32616300  0.66109800  0.84095400  1.0
  S  S14  1  0.10502800  0.76111800  0.32294600  1.0
  S  S15  1  0.76111800  0.10502800  0.82294600  1.0
  S  S16  1  0.78042500  0.78412700  0.30809100  1.0
  S  S17  1  0.78412700  0.78042500  0.80809100  1.0
  S  S18  1  0.09925900  0.45076600  0.31269900  1.0
  S  S19  1  0.45076600  0.09925900  0.81269900  1.0
  S  S20  1  0.90779700  0.26621900  0.16836000  1.0
  S  S21  1  0.26621900  0.90779700  0.66836000  1.0
  S  S22  1  0.34232000  0.48171600  0.36044400  1.0
  S  S23  1  0.48171600  0.34232000  0.86044400  1.0
  S  S24  1  0.80816200  0.47974300  0.36045400  1.0
  S  S25  1  0.47974300  0.80816200  0.86045400  1.0
  S  S26  1  0.59502100  0.24309300  0.18068700  1.0
  S  S27  1  0.24309300  0.59502100  0.68068700  1.0
  S  S28  1  0.03512500  0.70144500  0.14908600  1.0
  S  S29  1  0.70144500  0.03512500  0.64908600  1.0
  S  S30  1  0.58834900  0.56623700  0.16340800  1.0
  S  S31  1  0.56623700  0.58834900  0.66340800  1.0
  S  S32  1  0.81203900  0.01135600  0.35986500  1.0
  S  S33  1  0.01135600  0.81203900  0.85986500  1.0
  S  S34  1  0.90510500  0.01684900  0.12913300  1.0
  S  S35  1  0.01684900  0.90510500  0.62913300  1.0
  S  S36  1  0.86038700  0.57203700  0.13070400  1.0
  S  S37  1  0.57203700  0.86038700  0.63070400  1.0
  S  S38  1  0.35166300  0.52065300  0.13165200  1.0
  S  S39  1  0.52065300  0.35166300  0.63165200  1.0