# generated using pymatgen
data_Zn2In2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92144613
_cell_length_b   3.92144613
_cell_length_c   31.04520500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000211
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2In2S5
_chemical_formula_sum   'Zn4 In4 S10'
_cell_volume   413.44491994
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.33333300  0.66666700  0.30913800  1.0
  Zn  Zn1  1  0.66666700  0.33333300  0.80913800  1.0
  Zn  Zn2  1  0.66666700  0.33333300  0.06528900  1.0
  Zn  Zn3  1  0.33333300  0.66666700  0.56528900  1.0
  In  In4  1  0.33333300  0.66666700  0.91787200  1.0
  In  In5  1  0.00000000  0.00000000  0.18849100  1.0
  In  In6  1  0.00000000  0.00000000  0.68849100  1.0
  In  In7  1  0.66666700  0.33333300  0.41787200  1.0
  S  S8  1  0.66666700  0.33333300  0.33703200  1.0
  S  S9  1  0.33333300  0.66666700  0.04519200  1.0
  S  S10  1  0.33333300  0.66666700  0.45150100  1.0
  S  S11  1  0.33333300  0.66666700  0.23670600  1.0
  S  S12  1  0.66666700  0.33333300  0.14677800  1.0
  S  S13  1  0.66666700  0.33333300  0.95150100  1.0
  S  S14  1  0.33333300  0.66666700  0.83703200  1.0
  S  S15  1  0.33333300  0.66666700  0.64677800  1.0
  S  S16  1  0.66666700  0.33333300  0.73670600  1.0
  S  S17  1  0.66666700  0.33333300  0.54519200  1.0