# generated using pymatgen
data_Th2HgH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35349341
_cell_length_b   6.35349449
_cell_length_c   6.35349390
_cell_angle_alpha   105.62719883
_cell_angle_beta   105.62720892
_cell_angle_gamma   117.46752770
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2HgH4
_chemical_formula_sum   'Th4 Hg2 H8'
_cell_volume   194.50978859
_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  0.83582832  0.66417168  0.50000000  1.0
  Th  Th1  1  0.66417168  0.16417168  0.82834536  1.0
  Th  Th2  1  0.16417168  0.33582832  0.50000000  1.0
  Th  Th3  1  0.33582832  0.83582832  0.17165464  1.0
  Hg  Hg4  1  0.75000000  0.75000000  0.00000000  1.0
  Hg  Hg5  1  0.25000000  0.25000000  0.00000000  1.0
  H  H6  1  0.22077889  0.97884926  0.50000000  1.0
  H  H7  1  0.47884926  0.72077889  0.50000000  1.0
  H  H8  1  0.72077889  0.22077889  0.24193063  1.0
  H  H9  1  0.97884926  0.47884926  0.75806937  1.0
  H  H10  1  0.27922111  0.77922111  0.75806937  1.0
  H  H11  1  0.52115074  0.27922111  0.50000000  1.0
  H  H12  1  0.02115074  0.52115074  0.24193063  1.0
  H  H13  1  0.77922111  0.02115074  0.50000000  1.0