# generated using pymatgen
data_Sc2Ni7HgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87842987
_cell_length_b   4.87834875
_cell_length_c   13.85773621
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99670081
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ni7HgB2
_chemical_formula_sum   'Sc4 Ni14 Hg2 B4'
_cell_volume   285.62108849
_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
  Sc  Sc0  1  0.66667839  0.33333702  0.53070264  1.0
  Sc  Sc1  1  0.33332161  0.66666298  0.03070264  1.0
  Sc  Sc2  1  0.66664678  0.33333338  0.75583774  1.0
  Sc  Sc3  1  0.33335322  0.66666662  0.25583774  1.0
  Ni  Ni4  1  0.83419024  0.16579623  0.35282750  1.0
  Ni  Ni5  1  0.83418622  0.66836426  0.35283566  1.0
  Ni  Ni6  1  0.00001710  0.00001378  0.00008190  1.0
  Ni  Ni7  1  0.99998290  0.99998622  0.50008190  1.0
  Ni  Ni8  1  0.83406142  0.66811802  0.14706840  1.0
  Ni  Ni9  1  0.16593561  0.83408451  0.64707681  1.0
  Ni  Ni10  1  0.66814449  0.83408396  0.64707820  1.0
  Ni  Ni11  1  0.33185551  0.16591604  0.14707820  1.0
  Ni  Ni12  1  0.83406439  0.16591549  0.14707681  1.0
  Ni  Ni13  1  0.16581378  0.33163574  0.85283566  1.0
  Ni  Ni14  1  0.16580976  0.83420377  0.85282750  1.0
  Ni  Ni15  1  0.16593858  0.33188198  0.64706840  1.0
  Ni  Ni16  1  0.66838662  0.83420232  0.85283070  1.0
  Ni  Ni17  1  0.33161338  0.16579768  0.35283070  1.0
  Hg  Hg18  1  0.33332169  0.66666046  0.46678148  1.0
  Hg  Hg19  1  0.66667831  0.33333954  0.96678148  1.0
  B  B20  1  0.66666191  0.33332916  0.24956878  1.0
  B  B21  1  0.33333809  0.66667084  0.74956878  1.0
  B  B22  1  0.00001117  0.00003934  0.74731117  1.0
  B  B23  1  0.99998883  0.99996066  0.24731117  1.0