# generated using pymatgen
data_MnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68157270
_cell_length_b   5.55288125
_cell_length_c   3.25803270
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnS2
_chemical_formula_sum   'Mn2 S4'
_cell_volume   84.69652593
_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  0.50000000  0.50000000  0.50000000  1
  Mn  Mn1  1  0.00000000  0.00000000  0.00000000  1
  S  S2  1  0.50000000  0.69813800  0.13161800  1
  S  S3  1  0.50000000  0.30186200  0.86838200  1
  S  S4  1  0.00000000  0.19813800  0.36838200  1
  S  S5  1  0.00000000  0.80186200  0.63161800  1
