# generated using pymatgen
data_LiHoHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95968047
_cell_length_b   4.95968081
_cell_length_c   4.95968061
_cell_angle_alpha   60.00056981
_cell_angle_beta   60.00057462
_cell_angle_gamma   60.00056849
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHoHg2
_chemical_formula_sum   'Li1 Ho1 Hg2'
_cell_volume   86.26840302
_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
  Li  Li0  1  0.74999922  0.74999925  0.74999938  1
  Ho  Ho1  1  0.24999933  0.24999923  0.24999885  1
  Hg  Hg2  1  -0.00000002  0.00000000  0.00000015  1
  Hg  Hg3  1  0.50000047  0.50000052  0.50000063  1
