# generated using pymatgen
data_KTlHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.34280551
_cell_length_b   12.34280551
_cell_length_c   12.34280551
_cell_angle_alpha   119.41943327
_cell_angle_beta   117.12783409
_cell_angle_gamma   93.02797091
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlHg2
_chemical_formula_sum   'K1 Tl1 Hg2'
_cell_volume   1361.61557056
_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
  K  K0  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl1  1  0.50000000  0.00000000  0.50000000  1.0
  Hg  Hg2  1  0.25978000  0.00000000  0.25978000  1.0
  Hg  Hg3  1  0.74022000  0.00000000  0.74022000  1.0