# generated using pymatgen
data_Er2Th3Hg3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.08485876
_cell_length_b   9.08486058
_cell_length_c   6.37521738
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999340
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Th3Hg3C
_chemical_formula_sum   'Er4 Th6 Hg6 C2'
_cell_volume   455.68224298
_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
  Er  Er0  1  0.66666700  0.33333300  0.00000000  1.0
  Er  Er1  1  0.33333300  0.66666700  0.00000000  1.0
  Er  Er2  1  0.33333300  0.66666700  0.50000000  1.0
  Er  Er3  1  0.66666700  0.33333300  0.50000000  1.0
  Th  Th4  1  0.77358152  0.77358152  0.75000000  1.0
  Th  Th5  1  0.22641848  0.00000000  0.75000000  1.0
  Th  Th6  1  0.00000000  0.22641848  0.75000000  1.0
  Th  Th7  1  0.22641848  0.22641848  0.25000000  1.0
  Th  Th8  1  0.77358152  0.00000000  0.25000000  1.0
  Th  Th9  1  1.00000000  0.77358152  0.25000000  1.0
  Hg  Hg10  1  0.41139191  0.41139191  0.75000000  1.0
  Hg  Hg11  1  0.58860809  0.00000000  0.75000000  1.0
  Hg  Hg12  1  0.00000000  0.58860809  0.75000000  1.0
  Hg  Hg13  1  0.58860809  0.58860809  0.25000000  1.0
  Hg  Hg14  1  0.41139191  0.00000000  0.25000000  1.0
  Hg  Hg15  1  1.00000000  0.41139191  0.25000000  1.0
  C  C16  1  0.00000000  0.00000000  0.00000000  1.0
  C  C17  1  0.00000000  0.00000000  0.50000000  1.0