# generated using pymatgen
data_Mn4ZnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72199895
_cell_length_b   6.72199895
_cell_length_c   18.34338678
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4ZnS8
_chemical_formula_sum   'Mn12 Zn3 S24'
_cell_volume   717.80591997
_cell_formula_units_Z   3
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  0.50000000  0.50000000  0.00000000  1
  Mn  Mn1  1  0.00000000  0.50000000  0.00000000  1
  Mn  Mn2  1  0.50000000  0.00000000  0.00000000  1
  Mn  Mn3  1  0.00000000  0.00000000  0.00000000  1
  Mn  Mn4  1  0.16666700  0.83333300  0.33333300  1
  Mn  Mn5  1  0.66666700  0.83333300  0.33333300  1
  Mn  Mn6  1  0.16666700  0.33333300  0.33333300  1
  Mn  Mn7  1  0.66666700  0.33333300  0.33333300  1
  Mn  Mn8  1  0.83333300  0.16666700  0.66666700  1
  Mn  Mn9  1  0.33333300  0.16666700  0.66666700  1
  Mn  Mn10  1  0.83333300  0.66666700  0.66666700  1
  Mn  Mn11  1  0.33333300  0.66666700  0.66666700  1
  Zn  Zn12  1  0.33333300  0.66666700  0.16666700  1
  Zn  Zn13  1  0.00000000  0.00000000  0.50000000  1
  Zn  Zn14  1  0.66666700  0.33333300  0.83333300  1
  S  S15  1  0.49535500  0.50464500  0.26003900  1
  S  S16  1  0.17131100  0.34262200  0.07329400  1
  S  S17  1  0.17131100  0.82868900  0.07329400  1
  S  S18  1  0.65737800  0.82868900  0.07329400  1
  S  S19  1  0.00000000  0.00000000  0.26162700  1
  S  S20  1  0.66666700  0.33333300  0.07170600  1
  S  S21  1  0.00928900  0.50464500  0.26003900  1
  S  S22  1  0.49535500  0.99071100  0.26003900  1
  S  S23  1  0.16202200  0.83797800  0.59337300  1
  S  S24  1  0.83797800  0.67595600  0.40662700  1
  S  S25  1  0.83797800  0.16202200  0.40662700  1
  S  S26  1  0.32404400  0.16202200  0.40662700  1
  S  S27  1  0.66666700  0.33333300  0.59496000  1
  S  S28  1  0.33333300  0.66666700  0.40504000  1
  S  S29  1  0.67595600  0.83797800  0.59337300  1
  S  S30  1  0.16202200  0.32404400  0.59337300  1
  S  S31  1  0.82868900  0.17131100  0.92670600  1
  S  S32  1  0.50464500  0.00928900  0.73996100  1
  S  S33  1  0.50464500  0.49535500  0.73996100  1
  S  S34  1  0.99071100  0.49535500  0.73996100  1
  S  S35  1  0.33333300  0.66666700  0.92829400  1
  S  S36  1  0.00000000  0.00000000  0.73837300  1
  S  S37  1  0.34262200  0.17131100  0.92670600  1
  S  S38  1  0.82868900  0.65737800  0.92670600  1
