# generated using pymatgen
data_MnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12305989
_cell_length_b   6.12305989
_cell_length_c   6.12305989
_cell_angle_alpha   127.25730087
_cell_angle_beta   127.25730087
_cell_angle_gamma   77.83129931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnS2
_chemical_formula_sum   'Mn2 S4'
_cell_volume   140.96691980
_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  0.75000000  0.25000000  0.50000000  1.0
  Mn  Mn1  1  0.00000000  0.00000000  0.00000000  1.0
  S  S2  1  0.87500000  0.92886200  0.55386200  1.0
  S  S3  1  0.07113800  0.62500000  0.94613800  1.0
  S  S4  1  0.37500000  0.32113800  0.44613800  1.0
  S  S5  1  0.67886200  0.12500000  0.05386200  1.0