# generated using pymatgen
data_Th2Cu2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36713437
_cell_length_b   7.36713327
_cell_length_c   3.69313875
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.59268854
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Cu2Hg
_chemical_formula_sum   'Th2 Cu2 Hg1'
_cell_volume   113.26526693
_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
  Th  Th0  1  0.36751379  0.63248621  0.00000000  1.0
  Th  Th1  1  0.63248621  0.36751379  0.00000000  1.0
  Cu  Cu2  1  0.20160380  0.79839620  0.50000000  1.0
  Cu  Cu3  1  0.79839620  0.20160380  0.50000000  1.0
  Hg  Hg4  1  0.00000000  0.00000000  0.50000000  1.0