# generated using pymatgen
data_Y20NiHg6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.70658841
_cell_length_b   9.70658854
_cell_length_c   9.55162913
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999955
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y20NiHg6Ir
_chemical_formula_sum   'Y20 Ni1 Hg6 Ir1'
_cell_volume   779.36575572
_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
  Y  Y0  1  0.00000000  0.00000000  0.49860589  1.0
  Y  Y1  1  0.00000000  0.00000000  0.00139411  1.0
  Y  Y2  1  0.54137209  0.45862791  0.25000000  1.0
  Y  Y3  1  0.54137209  0.08274517  0.25000000  1.0
  Y  Y4  1  0.91725483  0.45862791  0.25000000  1.0
  Y  Y5  1  0.45693477  0.54306523  0.75000000  1.0
  Y  Y6  1  0.45693477  0.91386754  0.75000000  1.0
  Y  Y7  1  0.08613246  0.54306523  0.75000000  1.0
  Y  Y8  1  0.20808832  0.79191168  0.43815421  1.0
  Y  Y9  1  0.20808832  0.41617764  0.43815421  1.0
  Y  Y10  1  0.58382236  0.79191168  0.43815421  1.0
  Y  Y11  1  0.79076705  0.20923295  0.56510102  1.0
  Y  Y12  1  0.79076705  0.58153410  0.56510102  1.0
  Y  Y13  1  0.41846590  0.20923295  0.56510102  1.0
  Y  Y14  1  0.79076705  0.20923295  0.93489898  1.0
  Y  Y15  1  0.79076705  0.58153410  0.93489898  1.0
  Y  Y16  1  0.41846590  0.20923295  0.93489898  1.0
  Y  Y17  1  0.20808832  0.79191168  0.06184579  1.0
  Y  Y18  1  0.20808832  0.41617764  0.06184579  1.0
  Y  Y19  1  0.58382236  0.79191168  0.06184579  1.0
  Ni  Ni20  1  0.66666700  0.33333300  0.75000000  1.0
  Hg  Hg21  1  0.87930799  0.12069201  0.25000000  1.0
  Hg  Hg22  1  0.87930799  0.75861598  0.25000000  1.0
  Hg  Hg23  1  0.24138402  0.12069201  0.25000000  1.0
  Hg  Hg24  1  0.12012360  0.87987640  0.75000000  1.0
  Hg  Hg25  1  0.12012360  0.24024720  0.75000000  1.0
  Hg  Hg26  1  0.75975280  0.87987640  0.75000000  1.0
  Ir  Ir27  1  0.33333300  0.66666700  0.25000000  1.0