# generated using pymatgen
data_Ba(Cr5S8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85226963
_cell_length_b   9.13229003
_cell_length_c   9.28916427
_cell_angle_alpha   72.02365558
_cell_angle_beta   68.78018678
_cell_angle_gamma   79.27118934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(Cr5S8)2
_chemical_formula_sum   'Ba1 Cr10 S16'
_cell_volume   513.60272334
_cell_formula_units_Z   1
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  0.00000000  0.00000000  -0.00000000  1.0
  Cr  Cr1  1  0.83815868  0.68206766  0.47938377  1.0
  Cr  Cr2  1  0.33824411  0.68583912  0.48030384  1.0
  Cr  Cr3  1  0.66175589  0.31416088  0.51969616  1.0
  Cr  Cr4  1  0.16184132  0.31793234  0.52061623  1.0
  Cr  Cr5  1  0.81133931  0.41296197  0.16526066  1.0
  Cr  Cr6  1  0.31129154  0.40894692  0.16572395  1.0
  Cr  Cr7  1  0.68870846  0.59105308  0.83427605  1.0
  Cr  Cr8  1  0.18866069  0.58703803  0.83473934  1.0
  Cr  Cr9  1  0.50000000  0.00000000  0.50000000  1.0
  Cr  Cr10  1  0.00000000  0.00000000  0.50000000  1.0
  S  S11  1  0.78908403  0.15073227  0.34328287  1.0
  S  S12  1  0.28605772  0.15328919  0.34908212  1.0
  S  S13  1  0.71394228  0.84671081  0.65091788  1.0
  S  S14  1  0.21091597  0.84926773  0.65671713  1.0
  S  S15  1  0.95800089  0.47808862  0.34244488  1.0
  S  S16  1  0.45816931  0.48033406  0.34354746  1.0
  S  S17  1  0.54183069  0.51966594  0.65645254  1.0
  S  S18  1  0.04199911  0.52191138  0.65755512  1.0
  S  S19  1  0.62893163  0.83112147  0.32434286  1.0
  S  S20  1  0.12704913  0.83047141  0.32515694  1.0
  S  S21  1  0.87295087  0.16952859  0.67484306  1.0
  S  S22  1  0.37106837  0.16887853  0.67565714  1.0
  S  S23  1  0.34294356  0.65937114  0.98980599  1.0
  S  S24  1  0.84606750  0.66188623  0.98879981  1.0
  S  S25  1  0.15393250  0.33811377  0.01120019  1.0
  S  S26  1  0.65705644  0.34062886  0.01019401  1.0