# generated using pymatgen
data_MnS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65999180
_cell_length_b   6.30639711
_cell_length_c   3.65999199
_cell_angle_alpha   106.86877336
_cell_angle_beta   60.00000652
_cell_angle_gamma   106.86877862
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnS
_chemical_formula_sum   'Mn2 S2'
_cell_volume   68.93057499
_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  0.00000000  -0.00000000  0.00000000  1.0
  Mn  Mn1  1  0.50000000  0.50000000  0.50000000  1.0
  S  S2  1  0.74999955  0.24999864  0.74999955  1.0
  S  S3  1  0.25000045  0.75000136  0.25000045  1.0