# generated using pymatgen
data_MnS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95247286
_cell_length_b   3.95247286
_cell_length_c   6.29742979
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnS
_chemical_formula_sum   'Mn2 S2'
_cell_volume   85.19846278
_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  0.33333300  0.66666700  0.99829600  1
  Mn  Mn1  1  0.66666700  0.33333300  0.49829600  1
  S  S2  1  0.66666700  0.33333300  0.12669400  1
  S  S3  1  0.33333300  0.66666700  0.62669400  1
