# generated using pymatgen
data_LuTh2(MgHg)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44927942
_cell_length_b   7.44927850
_cell_length_c   4.62136303
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.42276039
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuTh2(MgHg)3
_chemical_formula_sum   'Lu1 Th2 Mg3 Hg3'
_cell_volume   223.37062367
_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
  Lu  Lu0  1  0.58180354  0.58180354  0.00000000  1.0
  Th  Th1  1  0.42291763  0.99995472  0.00000000  1.0
  Th  Th2  1  0.99995472  0.42291763  0.00000000  1.0
  Mg  Mg3  1  0.75859383  0.99983351  0.50000000  1.0
  Mg  Mg4  1  0.24182609  0.24182609  0.50000000  1.0
  Mg  Mg5  1  0.99983351  0.75859383  0.50000000  1.0
  Hg  Hg6  1  0.98906398  0.98906398  0.00000000  1.0
  Hg  Hg7  1  0.66321213  0.34279356  0.50000000  1.0
  Hg  Hg8  1  0.34279356  0.66321213  0.50000000  1.0