# generated using pymatgen
data_Mn4ZnS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90746872
_cell_length_b   6.90746872
_cell_length_c   17.33727908
_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   716.38985271
_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  0.33333300  0.66666700  0.16666700  1
  Mn  Mn1  1  0.16666700  0.83333300  0.33333300  1
  Mn  Mn2  1  0.66666700  0.83333300  0.33333300  1
  Mn  Mn3  1  0.16666700  0.33333300  0.33333300  1
  Mn  Mn4  1  0.00000000  0.00000000  0.50000000  1
  Mn  Mn5  1  0.83333300  0.16666700  0.66666700  1
  Mn  Mn6  1  0.33333300  0.16666700  0.66666700  1
  Mn  Mn7  1  0.83333300  0.66666700  0.66666700  1
  Mn  Mn8  1  0.66666700  0.33333300  0.83333300  1
  Mn  Mn9  1  0.50000000  0.50000000  0.00000000  1
  Mn  Mn10  1  0.00000000  0.50000000  0.00000000  1
  Mn  Mn11  1  0.50000000  0.00000000  0.00000000  1
  Zn  Zn12  1  0.66666700  0.33333300  0.33333300  1
  Zn  Zn13  1  0.33333300  0.66666700  0.66666700  1
  Zn  Zn14  1  0.00000000  0.00000000  0.00000000  1
  S  S15  1  0.31603200  0.15801600  0.41022500  1
  S  S16  1  0.84198400  0.15801600  0.41022500  1
  S  S17  1  0.84198400  0.68396800  0.41022500  1
  S  S18  1  0.00000000  0.00000000  0.26004500  1
  S  S19  1  0.33333300  0.66666700  0.40662100  1
  S  S20  1  0.49134900  0.50865100  0.25644200  1
  S  S21  1  0.49134900  0.98269900  0.25644200  1
  S  S22  1  0.01730100  0.50865100  0.25644200  1
  S  S23  1  0.98269900  0.49134900  0.74355800  1
  S  S24  1  0.50865100  0.49134900  0.74355800  1
  S  S25  1  0.50865100  0.01730100  0.74355800  1
  S  S26  1  0.66666700  0.33333300  0.59337900  1
  S  S27  1  0.00000000  0.00000000  0.73995500  1
  S  S28  1  0.15801600  0.84198400  0.58977500  1
  S  S29  1  0.15801600  0.31603200  0.58977500  1
  S  S30  1  0.68396800  0.84198400  0.58977500  1
  S  S31  1  0.64936500  0.82468300  0.07689100  1
  S  S32  1  0.17531700  0.82468300  0.07689100  1
  S  S33  1  0.17531700  0.35063500  0.07689100  1
  S  S34  1  0.33333300  0.66666700  0.92671200  1
  S  S35  1  0.66666700  0.33333300  0.07328800  1
  S  S36  1  0.82468300  0.17531700  0.92310900  1
  S  S37  1  0.82468300  0.64936500  0.92310900  1
  S  S38  1  0.35063500  0.17531700  0.92310900  1
