# generated using pymatgen
data_Ba2MnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34481373
_cell_length_b   8.90420681
_cell_length_c   17.23114905
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnS3
_chemical_formula_sum   'Ba8 Mn4 S12'
_cell_volume   666.62353108
_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  0.75687787  0.95628982  1.0
  Ba  Ba1  1  0.75000000  0.74312213  0.45628982  1.0
  Ba  Ba2  1  0.25000000  0.25687787  0.54371018  1.0
  Ba  Ba3  1  0.75000000  0.24312213  0.04371018  1.0
  Ba  Ba4  1  0.25000000  0.41735918  0.28634222  1.0
  Ba  Ba5  1  0.75000000  0.58264082  0.71365778  1.0
  Ba  Ba6  1  0.25000000  0.91735918  0.21365778  1.0
  Ba  Ba7  1  0.75000000  0.08264082  0.78634222  1.0
  Mn  Mn8  1  0.75000000  0.12803843  0.36660978  1.0
  Mn  Mn9  1  0.75000000  0.62803843  0.13339022  1.0
  Mn  Mn10  1  0.25000000  0.87196157  0.63339022  1.0
  Mn  Mn11  1  0.25000000  0.37196157  0.86660978  1.0
  S  S12  1  0.25000000  0.00479485  0.39861466  1.0
  S  S13  1  0.75000000  0.99520515  0.60138534  1.0
  S  S14  1  0.25000000  0.50479485  0.10138534  1.0
  S  S15  1  0.75000000  0.49520515  0.89861466  1.0
  S  S16  1  0.25000000  0.12985255  0.92736452  1.0
  S  S17  1  0.75000000  0.87014745  0.07263548  1.0
  S  S18  1  0.25000000  0.62985255  0.57263548  1.0
  S  S19  1  0.75000000  0.17882572  0.22916892  1.0
  S  S20  1  0.25000000  0.32117428  0.72916892  1.0
  S  S21  1  0.75000000  0.67882572  0.27083108  1.0
  S  S22  1  0.25000000  0.82117428  0.77083108  1.0
  S  S23  1  0.75000000  0.37014745  0.42736452  1.0