# generated using pymatgen
data_Mn4FeS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.82183323
_cell_length_b   3.58039833
_cell_length_c   8.71741301
_cell_angle_alpha   90.00000000
_cell_angle_beta   119.93781681
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4FeS5
_chemical_formula_sum   'Mn8 Fe2 S10'
_cell_volume   319.74680678
_cell_formula_units_Z   2
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  0.10248300  0.50000000  0.39975100  1
  Mn  Mn1  1  0.20116100  0.00000000  0.80639400  1
  Mn  Mn2  1  0.79883900  0.00000000  0.19360600  1
  Mn  Mn3  1  0.89751700  0.50000000  0.60024900  1
  Mn  Mn4  1  0.60248300  0.00000000  0.39975100  1
  Mn  Mn5  1  0.70116100  0.50000000  0.80639400  1
  Mn  Mn6  1  0.29883900  0.50000000  0.19360600  1
  Mn  Mn7  1  0.39751700  0.00000000  0.60024900  1
  Fe  Fe8  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe9  1  0.50000000  0.50000000  -0.00000000  1
  S  S10  1  0.00000000  0.00000000  0.50000000  1
  S  S11  1  0.09610700  0.50000000  0.89982600  1
  S  S12  1  0.69905800  0.50000000  0.29541900  1
  S  S13  1  0.30094200  0.50000000  0.70458100  1
  S  S14  1  0.90389300  0.50000000  0.10017400  1
  S  S15  1  0.50000000  0.50000000  0.50000000  1
  S  S16  1  0.59610700  0.00000000  0.89982600  1
  S  S17  1  0.19905800  0.00000000  0.29541900  1
  S  S18  1  0.80094200  0.00000000  0.70458100  1
  S  S19  1  0.40389300  0.00000000  0.10017400  1
