# generated using pymatgen
data_BaMnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15529414
_cell_length_b   7.19004736
_cell_length_c   14.04693106
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnS2
_chemical_formula_sum   'Ba4 Mn4 S8'
_cell_volume   419.67681135
_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
  Ba  Ba0  1  0.25000000  0.20754043  0.87146633  1.0
  Ba  Ba1  1  0.75000000  0.79245957  0.12853367  1.0
  Ba  Ba2  1  0.25000000  0.70754043  0.62853367  1.0
  Ba  Ba3  1  0.75000000  0.29245957  0.37146633  1.0
  Mn  Mn4  1  0.75000000  0.73111295  0.86393396  1.0
  Mn  Mn5  1  0.75000000  0.23111295  0.63606604  1.0
  Mn  Mn6  1  0.25000000  0.26888705  0.13606604  1.0
  Mn  Mn7  1  0.25000000  0.76888705  0.36393396  1.0
  S  S8  1  0.25000000  0.03147577  0.25862164  1.0
  S  S9  1  0.75000000  0.96852423  0.74137836  1.0
  S  S10  1  0.25000000  0.53147577  0.24137836  1.0
  S  S11  1  0.75000000  0.46852423  0.75862164  1.0
  S  S12  1  0.25000000  0.26191666  0.54712263  1.0
  S  S13  1  0.75000000  0.23808334  0.04712263  1.0
  S  S14  1  0.25000000  0.76191666  0.95287737  1.0
  S  S15  1  0.75000000  0.73808334  0.45287737  1.0