# generated using pymatgen
data_Mn2Pd8S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92444800
_cell_length_b   3.92444800
_cell_length_c   10.77148408
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Pd8S
_chemical_formula_sum   'Mn2 Pd8 S1'
_cell_volume   165.89477278
_cell_formula_units_Z   1
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  0.82232669  1.0
  Mn  Mn1  1  0.50000000  0.50000000  0.17767331  1.0
  Pd  Pd2  1  0.50000000  0.00000000  0.00000000  1.0
  Pd  Pd3  1  0.00000000  0.50000000  0.00000000  1.0
  Pd  Pd4  1  0.50000000  0.00000000  0.63655109  1.0
  Pd  Pd5  1  0.00000000  0.50000000  0.63655109  1.0
  Pd  Pd6  1  0.50000000  0.00000000  0.36344891  1.0
  Pd  Pd7  1  0.00000000  0.50000000  0.36344891  1.0
  Pd  Pd8  1  0.00000000  0.00000000  0.81796481  1.0
  Pd  Pd9  1  0.00000000  0.00000000  0.18203519  1.0
  S  S10  1  0.00000000  0.00000000  0.50000000  1.0