# generated using pymatgen
data_Ce3HfSn3Hg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41833048
_cell_length_b   9.41833123
_cell_length_c   6.37623948
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999377
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3HfSn3Hg2
_chemical_formula_sum   'Ce6 Hf2 Sn6 Hg4'
_cell_volume   489.82750055
_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
  Ce  Ce0  1  0.62453671  0.00000000  0.25000000  1.0
  Ce  Ce1  1  0.37546329  1.00000000  0.75000000  1.0
  Ce  Ce2  1  0.00000000  0.62453671  0.25000000  1.0
  Ce  Ce3  1  1.00000000  0.37546329  0.75000000  1.0
  Ce  Ce4  1  0.37546329  0.37546329  0.25000000  1.0
  Ce  Ce5  1  0.62453671  0.62453671  0.75000000  1.0
  Hf  Hf6  1  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf7  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn8  1  0.27385357  0.00000000  0.25000000  1.0
  Sn  Sn9  1  0.72614643  1.00000000  0.75000000  1.0
  Sn  Sn10  1  0.00000000  0.27385357  0.25000000  1.0
  Sn  Sn11  1  1.00000000  0.72614643  0.75000000  1.0
  Sn  Sn12  1  0.72614643  0.72614643  0.25000000  1.0
  Sn  Sn13  1  0.27385357  0.27385357  0.75000000  1.0
  Hg  Hg14  1  0.33333300  0.66666700  0.00000000  1.0
  Hg  Hg15  1  0.66666700  0.33333300  0.00000000  1.0
  Hg  Hg16  1  0.66666700  0.33333300  0.50000000  1.0
  Hg  Hg17  1  0.33333300  0.66666700  0.50000000  1.0