# generated using pymatgen
data_Sc7Co6Sn22Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.50266524
_cell_length_b   9.50266542
_cell_length_c   9.63414219
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999590
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc7Co6Sn22Hg
_chemical_formula_sum   'Sc7 Co6 Sn22 Hg1'
_cell_volume   753.41553365
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.48276531  0.51723469  0.30939625  1.0
  Sc  Sc2  1  0.51723469  0.48276531  0.69060375  1.0
  Sc  Sc3  1  0.48276531  0.96553061  0.30939625  1.0
  Sc  Sc4  1  0.51723469  0.03446939  0.69060375  1.0
  Sc  Sc5  1  0.03446939  0.51723469  0.30939625  1.0
  Sc  Sc6  1  0.96553061  0.48276531  0.69060375  1.0
  Co  Co7  1  0.83002609  0.16997391  0.19974822  1.0
  Co  Co8  1  0.16997391  0.83002609  0.80025178  1.0
  Co  Co9  1  0.83002609  0.66005118  0.19974822  1.0
  Co  Co10  1  0.16997391  0.33994882  0.80025178  1.0
  Co  Co11  1  0.33994882  0.16997391  0.19974822  1.0
  Co  Co12  1  0.66005118  0.83002609  0.80025178  1.0
  Sn  Sn13  1  0.34624556  1.00000000  0.00000000  1.0
  Sn  Sn14  1  0.65375444  0.00000000  0.00000000  1.0
  Sn  Sn15  1  1.00000000  0.34624556  0.00000000  1.0
  Sn  Sn16  1  0.00000000  0.65375444  0.00000000  1.0
  Sn  Sn17  1  0.65375444  0.65375444  0.00000000  1.0
  Sn  Sn18  1  0.34624556  0.34624556  0.00000000  1.0
  Sn  Sn19  1  0.33333300  0.66666700  0.82687593  1.0
  Sn  Sn20  1  0.66666700  0.33333300  0.17312407  1.0
  Sn  Sn21  1  0.77934233  0.22065767  0.45714033  1.0
  Sn  Sn22  1  0.22065767  0.77934233  0.54285967  1.0
  Sn  Sn23  1  0.77934233  0.55868666  0.45714033  1.0
  Sn  Sn24  1  0.22065767  0.44131334  0.54285967  1.0
  Sn  Sn25  1  0.44131334  0.22065767  0.45714033  1.0
  Sn  Sn26  1  0.55868666  0.77934233  0.54285967  1.0
  Sn  Sn27  1  0.33333300  0.66666700  0.13594847  1.0
  Sn  Sn28  1  0.66666700  0.33333300  0.86405153  1.0
  Sn  Sn29  1  0.11746138  0.88253862  0.27158659  1.0
  Sn  Sn30  1  0.88253862  0.11746138  0.72841341  1.0
  Sn  Sn31  1  0.11746138  0.23492076  0.27158659  1.0
  Sn  Sn32  1  0.88253862  0.76507924  0.72841341  1.0
  Sn  Sn33  1  0.76507924  0.88253862  0.27158659  1.0
  Sn  Sn34  1  0.23492076  0.11746138  0.72841341  1.0
  Hg  Hg35  1  0.00000000  0.00000000  0.50000000  1.0