# generated using pymatgen
data_TmThNi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44017528
_cell_length_b   7.36249034
_cell_length_c   3.63492079
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmThNi2Hg
_chemical_formula_sum   'Tm2 Th2 Ni4 Hg2'
_cell_volume   199.11448548
_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
  Tm  Tm0  1  0.17522920  0.67495657  0.49999900  1.0
  Tm  Tm1  1  0.67523020  0.82504343  0.49999900  1.0
  Th  Th2  1  0.32147622  0.17040587  0.49999900  1.0
  Th  Th3  1  0.82147622  0.32959313  0.49999900  1.0
  Ni  Ni4  1  0.62607570  0.12497647  0.00000000  1.0
  Ni  Ni5  1  0.12607670  0.37502453  0.00000000  1.0
  Ni  Ni6  1  0.88295800  0.60993006  0.00000000  1.0
  Ni  Ni7  1  0.38295800  0.89006994  0.00000000  1.0
  Hg  Hg8  1  0.99425888  0.98016621  0.00000000  1.0
  Hg  Hg9  1  0.49425888  0.51983379  0.00000000  1.0