# generated using pymatgen
data_Ba7Hg31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.96998198
_cell_length_b   10.97000728
_cell_length_c   10.44401680
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00007175
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba7Hg31
_chemical_formula_sum   'Ba7 Hg31'
_cell_volume   1088.45557751
_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  0.66666700  0.33333300  -0.00000000  1.0
  Ba  Ba1  1  0.99999900  0.99999900  -0.00000000  1.0
  Ba  Ba2  1  0.83361255  0.66722410  0.50000000  1.0
  Ba  Ba3  1  0.33277490  0.16638645  0.50000000  1.0
  Ba  Ba4  1  0.83361255  0.16638745  0.50000000  1.0
  Ba  Ba5  1  0.33333300  0.66666700  0.79195735  1.0
  Ba  Ba6  1  0.33333300  0.66666700  0.20804265  1.0
  Hg  Hg7  1  0.06287280  0.66831750  -0.00000000  1.0
  Hg  Hg8  1  0.33168250  0.39455430  -0.00000000  1.0
  Hg  Hg9  1  0.60544570  0.93712720  -0.00000000  1.0
  Hg  Hg10  1  0.60544570  0.66831750  -0.00000000  1.0
  Hg  Hg11  1  0.33168250  0.93712720  -0.00000000  1.0
  Hg  Hg12  1  0.06287280  0.39455430  -0.00000000  1.0
  Hg  Hg13  1  0.83684887  0.67369874  0.83395022  1.0
  Hg  Hg14  1  0.32630026  0.16315113  0.83395022  1.0
  Hg  Hg15  1  0.83684887  0.16315113  0.83395022  1.0
  Hg  Hg16  1  0.83684887  0.67369874  0.16604978  1.0
  Hg  Hg17  1  0.32630026  0.16315113  0.16604978  1.0
  Hg  Hg18  1  0.83684887  0.16315113  0.16604978  1.0
  Hg  Hg19  1  0.66666700  0.33333300  0.64530354  1.0
  Hg  Hg20  1  -0.00000000  0.00000000  0.64890044  1.0
  Hg  Hg21  1  -0.00000000  0.00000000  0.35109956  1.0
  Hg  Hg22  1  0.66666700  0.33333300  0.35469646  1.0
  Hg  Hg23  1  0.95718419  0.47859159  0.73262671  1.0
  Hg  Hg24  1  0.52140741  0.47859059  0.73262671  1.0
  Hg  Hg25  1  0.52140741  0.04281581  0.73262671  1.0
  Hg  Hg26  1  0.15314940  0.84684960  0.69982020  1.0
  Hg  Hg27  1  0.69370120  0.84685060  0.69982120  1.0
  Hg  Hg28  1  0.15314940  0.30629980  0.69982020  1.0
  Hg  Hg29  1  0.69370120  0.84685060  0.30017880  1.0
  Hg  Hg30  1  0.15314940  0.84684960  0.30017980  1.0
  Hg  Hg31  1  0.15314940  0.30629980  0.30017980  1.0
  Hg  Hg32  1  0.52140741  0.47859059  0.26737329  1.0
  Hg  Hg33  1  0.95718419  0.47859159  0.26737329  1.0
  Hg  Hg34  1  0.52140741  0.04281581  0.26737329  1.0
  Hg  Hg35  1  0.13743063  0.56871581  0.50000000  1.0
  Hg  Hg36  1  0.43128819  0.56871781  0.50000000  1.0
  Hg  Hg37  1  0.43128819  0.86257137  0.50000000  1.0