# generated using pymatgen
data_MnFeSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44897600
_cell_length_b   3.44897600
_cell_length_c   16.35617294
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeSeS
_chemical_formula_sum   'Mn3 Fe3 Se3 S3'
_cell_volume   168.49719293
_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  0.00000000  0.00000000  0.47052100  1
  Mn  Mn1  1  0.66666700  0.33333300  0.80385400  1
  Mn  Mn2  1  0.33333300  0.66666700  0.13718800  1
  Fe  Fe3  1  0.66666700  0.33333300  0.36229500  1
  Fe  Fe4  1  0.33333300  0.66666700  0.69562900  1
  Fe  Fe5  1  0.00000000  0.00000000  0.02896200  1
  Se  Se6  1  0.66666700  0.33333300  0.58277700  1
  Se  Se7  1  0.33333300  0.66666700  0.91611000  1
  Se  Se8  1  0.00000000  0.00000000  0.24944300  1
  S  S9  1  0.33333300  0.66666700  0.41774000  1
  S  S10  1  0.00000000  0.00000000  0.75107300  1
  S  S11  1  0.66666700  0.33333300  0.08440700  1
