# generated using pymatgen
data_LiHo(ScHg2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08199400
_cell_length_b   7.08213878
_cell_length_c   6.85144625
_cell_angle_alpha   90.00036635
_cell_angle_beta   89.99807597
_cell_angle_gamma   89.99857225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHo(ScHg2)2
_chemical_formula_sum   'Li2 Ho2 Sc4 Hg8'
_cell_volume   343.63883814
_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
  Li  Li0  1  0.74996339  0.24999754  0.49997844  1.0
  Li  Li1  1  0.25003661  0.75000346  0.50002156  1.0
  Ho  Ho2  1  0.75006632  0.24999541  0.00003952  1.0
  Ho  Ho3  1  0.24993468  0.75000459  0.99996048  1.0
  Sc  Sc4  1  0.24996539  0.25000099  0.99998643  1.0
  Sc  Sc5  1  0.75003361  0.74999901  0.00001357  1.0
  Sc  Sc6  1  0.74994627  0.74999767  0.49998612  1.0
  Sc  Sc7  1  0.25005373  0.25000233  0.50001488  1.0
  Hg  Hg8  1  0.49996336  0.99999065  0.26469498  1.0
  Hg  Hg9  1  0.49996444  0.50001998  0.26468354  1.0
  Hg  Hg10  1  0.00001747  0.99998625  0.26483420  1.0
  Hg  Hg11  1  0.00002041  0.49999581  0.26483892  1.0
  Hg  Hg12  1  0.99998253  0.00001375  0.73516580  1.0
  Hg  Hg13  1  0.99997959  0.50000419  0.73516108  1.0
  Hg  Hg14  1  0.50003556  0.49998002  0.73531546  1.0
  Hg  Hg15  1  0.50003564  0.00000935  0.73530502  1.0