# generated using pymatgen
data_Mn2ZnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.13360452
_cell_length_b   10.13360452
_cell_length_c   10.13360452
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnS4
_chemical_formula_sum   'Mn16 Zn8 S32'
_cell_volume   1040.61924590
_cell_formula_units_Z   8
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
  Mn  Mn0  1  0.37500000  0.37500000  0.12500000  1
  Mn  Mn1  1  0.62500000  0.37500000  0.87500000  1
  Mn  Mn2  1  0.12500000  0.12500000  0.12500000  1
  Mn  Mn3  1  0.87500000  0.12500000  0.87500000  1
  Mn  Mn4  1  0.37500000  0.87500000  0.62500000  1
  Mn  Mn5  1  0.62500000  0.87500000  0.37500000  1
  Mn  Mn6  1  0.12500000  0.62500000  0.62500000  1
  Mn  Mn7  1  0.87500000  0.62500000  0.37500000  1
  Mn  Mn8  1  0.87500000  0.37500000  0.62500000  1
  Mn  Mn9  1  0.12500000  0.37500000  0.37500000  1
  Mn  Mn10  1  0.62500000  0.12500000  0.62500000  1
  Mn  Mn11  1  0.37500000  0.12500000  0.37500000  1
  Mn  Mn12  1  0.87500000  0.87500000  0.12500000  1
  Mn  Mn13  1  0.12500000  0.87500000  0.87500000  1
  Mn  Mn14  1  0.62500000  0.62500000  0.12500000  1
  Mn  Mn15  1  0.37500000  0.62500000  0.87500000  1
  Zn  Zn16  1  0.25000000  0.75000000  0.25000000  1
  Zn  Zn17  1  0.00000000  0.50000000  0.00000000  1
  Zn  Zn18  1  0.25000000  0.25000000  0.75000000  1
  Zn  Zn19  1  0.00000000  0.00000000  0.50000000  1
  Zn  Zn20  1  0.75000000  0.75000000  0.75000000  1
  Zn  Zn21  1  0.50000000  0.50000000  0.50000000  1
  Zn  Zn22  1  0.75000000  0.25000000  0.25000000  1
  Zn  Zn23  1  0.50000000  0.00000000  0.00000000  1
  S  S24  1  0.86596700  0.63403300  0.13403300  1
  S  S25  1  0.63403300  0.63403300  0.36596700  1
  S  S26  1  0.36596700  0.36596700  0.36596700  1
  S  S27  1  0.38403300  0.61596700  0.11596700  1
  S  S28  1  0.11596700  0.88403300  0.11596700  1
  S  S29  1  0.61596700  0.61596700  0.88403300  1
  S  S30  1  0.13403300  0.36596700  0.13403300  1
  S  S31  1  0.88403300  0.88403300  0.88403300  1
  S  S32  1  0.86596700  0.13403300  0.63403300  1
  S  S33  1  0.63403300  0.13403300  0.86596700  1
  S  S34  1  0.36596700  0.86596700  0.86596700  1
  S  S35  1  0.38403300  0.11596700  0.61596700  1
  S  S36  1  0.11596700  0.38403300  0.61596700  1
  S  S37  1  0.61596700  0.11596700  0.38403300  1
  S  S38  1  0.13403300  0.86596700  0.63403300  1
  S  S39  1  0.88403300  0.38403300  0.38403300  1
  S  S40  1  0.36596700  0.63403300  0.63403300  1
  S  S41  1  0.13403300  0.63403300  0.86596700  1
  S  S42  1  0.86596700  0.36596700  0.86596700  1
  S  S43  1  0.88403300  0.61596700  0.61596700  1
  S  S44  1  0.61596700  0.88403300  0.61596700  1
  S  S45  1  0.11596700  0.61596700  0.38403300  1
  S  S46  1  0.63403300  0.36596700  0.63403300  1
  S  S47  1  0.38403300  0.88403300  0.38403300  1
  S  S48  1  0.36596700  0.13403300  0.13403300  1
  S  S49  1  0.13403300  0.13403300  0.36596700  1
  S  S50  1  0.86596700  0.86596700  0.36596700  1
  S  S51  1  0.88403300  0.11596700  0.11596700  1
  S  S52  1  0.61596700  0.38403300  0.11596700  1
  S  S53  1  0.11596700  0.11596700  0.88403300  1
  S  S54  1  0.63403300  0.86596700  0.13403300  1
  S  S55  1  0.38403300  0.38403300  0.88403300  1
