# generated using pymatgen
data_MnFeSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80431499
_cell_length_b   5.80431499
_cell_length_c   5.80431527
_cell_angle_alpha   34.56754418
_cell_angle_beta   34.56754418
_cell_angle_gamma   34.56754869
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeSeS
_chemical_formula_sum   'Mn1 Fe1 Se1 S1'
_cell_volume   56.16571986
_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  0.47052100  0.47052100  0.47052100  1.0
  Fe  Fe1  1  0.02896200  0.02896200  0.02896200  1.0
  Se  Se2  1  0.24944300  0.24944300  0.24944300  1.0
  S  S3  1  0.75107300  0.75107300  0.75107300  1.0