# generated using pymatgen
data_Y3ThHgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71592828
_cell_length_b   9.71592825
_cell_length_c   9.71592933
_cell_angle_alpha   60.00000309
_cell_angle_beta   60.00000320
_cell_angle_gamma   60.00000202
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3ThHgIr
_chemical_formula_sum   'Y12 Th4 Hg4 Ir4'
_cell_volume   648.54180526
_cell_formula_units_Z   4
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  0.81042189  0.18957811  0.18957811  1.0
  Y  Y1  1  0.18957811  0.81042189  0.81042189  1.0
  Y  Y2  1  0.18957811  0.81042189  0.18957811  1.0
  Y  Y3  1  0.81042189  0.18957811  0.81042189  1.0
  Y  Y4  1  0.18957811  0.18957811  0.81042189  1.0
  Y  Y5  1  0.81042189  0.81042189  0.18957811  1.0
  Y  Y6  1  0.93691127  0.56308873  0.56308873  1.0
  Y  Y7  1  0.56308873  0.93691127  0.93691127  1.0
  Y  Y8  1  0.56308873  0.93691127  0.56308873  1.0
  Y  Y9  1  0.93691127  0.56308873  0.93691127  1.0
  Y  Y10  1  0.56308873  0.56308873  0.93691127  1.0
  Y  Y11  1  0.93691127  0.93691127  0.56308873  1.0
  Th  Th12  1  0.35097897  0.35097897  0.35097897  1.0
  Th  Th13  1  0.35097897  0.35097897  0.94706410  1.0
  Th  Th14  1  0.35097897  0.94706410  0.35097897  1.0
  Th  Th15  1  0.94706410  0.35097897  0.35097897  1.0
  Hg  Hg16  1  0.58866825  0.58866825  0.58866825  1.0
  Hg  Hg17  1  0.58866825  0.58866825  0.23399425  1.0
  Hg  Hg18  1  0.58866825  0.23399425  0.58866825  1.0
  Hg  Hg19  1  0.23399425  0.58866825  0.58866825  1.0
  Ir  Ir20  1  0.14341580  0.14341580  0.14341580  1.0
  Ir  Ir21  1  0.14341580  0.14341580  0.56975261  1.0
  Ir  Ir22  1  0.14341580  0.56975261  0.14341580  1.0
  Ir  Ir23  1  0.56975261  0.14341580  0.14341580  1.0