# generated using pymatgen
data_MnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88032854
_cell_length_b   7.04303553
_cell_length_c   6.10969521
_cell_angle_alpha   90.00000000
_cell_angle_beta   114.63381160
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnS2
_chemical_formula_sum   'Mn4 S8'
_cell_volume   230.00658067
_cell_formula_units_Z   4
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  0.28841700  0.43653700  0.53198600  1
  Mn  Mn1  1  0.71158300  0.93653700  0.96801400  1
  Mn  Mn2  1  0.71158300  0.56346300  0.46801400  1
  Mn  Mn3  1  0.28841700  0.06346300  0.03198600  1
  S  S4  1  0.43488900  0.14554900  0.76342400  1
  S  S5  1  0.56511100  0.64554900  0.73657600  1
  S  S6  1  0.56511100  0.85445100  0.23657600  1
  S  S7  1  0.43488900  0.35445100  0.26342400  1
  S  S8  1  0.95393500  0.92478900  0.76354800  1
  S  S9  1  0.04606500  0.42478900  0.73645200  1
  S  S10  1  0.04606500  0.07521100  0.23645200  1
  S  S11  1  0.95393500  0.57521100  0.26354800  1
