# generated using pymatgen
data_Mn4FeS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17606284
_cell_length_b   6.17606284
_cell_length_c   8.71741262
_cell_angle_alpha   61.46897643
_cell_angle_beta   61.46897643
_cell_angle_gamma   33.69925439
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4FeS5
_chemical_formula_sum   'Mn4 Fe1 S5'
_cell_volume   159.87339515
_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  0.60248300  0.60248300  0.60024900  1.0
  Mn  Mn1  1  0.20116100  0.20116100  0.19360600  1.0
  Mn  Mn2  1  0.79883900  0.79883900  0.80639400  1.0
  Mn  Mn3  1  0.39751700  0.39751700  0.39975100  1.0
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1.0
  S  S5  1  0.00000000  0.00000000  0.50000000  1.0
  S  S6  1  0.59610700  0.59610700  0.10017400  1.0
  S  S7  1  0.19905800  0.19905800  0.70458100  1.0
  S  S8  1  0.80094200  0.80094200  0.29541900  1.0
  S  S9  1  0.40389300  0.40389300  0.89982600  1.0