# generated using pymatgen
data_Mn4FeS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.77040727
_cell_length_b   14.77040727
_cell_length_c   14.77040717
_cell_angle_alpha   13.94807489
_cell_angle_beta   13.94807489
_cell_angle_gamma   13.94807807
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4FeS5
_chemical_formula_sum   'Mn4 Fe1 S5'
_cell_volume   162.94256930
_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  0.60152100  0.60152100  0.60152100  1.0
  Mn  Mn1  1  0.19986500  0.19986500  0.19986500  1.0
  Mn  Mn2  1  0.80013500  0.80013500  0.80013500  1.0
  Mn  Mn3  1  0.39847900  0.39847900  0.39847900  1.0
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1.0
  S  S5  1  0.69889200  0.69889200  0.69889200  1.0
  S  S6  1  0.50000000  0.50000000  0.50000000  1.0
  S  S7  1  0.09989700  0.09989700  0.09989700  1.0
  S  S8  1  0.30110800  0.30110800  0.30110800  1.0
  S  S9  1  0.90010300  0.90010300  0.90010300  1.0