# generated using pymatgen
data_Th3HgC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78057077
_cell_length_b   3.78057139
_cell_length_c   22.14423875
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999456
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3HgC2
_chemical_formula_sum   'Th6 Hg2 C4'
_cell_volume   274.09822686
_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
  Th  Th0  1  0.00000000  0.00000000  0.00000000  1.0
  Th  Th1  1  0.33333300  0.66666700  0.13404974  1.0
  Th  Th2  1  0.33333300  0.66666700  0.36595026  1.0
  Th  Th3  1  0.00000000  0.00000000  0.50000000  1.0
  Th  Th4  1  0.66666700  0.33333500  0.63404974  1.0
  Th  Th5  1  0.66666700  0.33333500  0.86595026  1.0
  Hg  Hg6  1  0.00000000  0.00000000  0.25000000  1.0
  Hg  Hg7  1  0.00000000  0.00000000  0.75000000  1.0
  C  C8  1  0.66666700  0.33333500  0.07481424  1.0
  C  C9  1  0.66666700  0.33333500  0.42518576  1.0
  C  C10  1  0.33333300  0.66666700  0.57481424  1.0
  C  C11  1  0.33333300  0.66666700  0.92518576  1.0