# generated using pymatgen
data_Ba2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22818497
_cell_length_b   4.22818475
_cell_length_c   8.24185097
_cell_angle_alpha   104.86289068
_cell_angle_beta   104.86288228
_cell_angle_gamma   89.99999994
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Hg
_chemical_formula_sum   'Ba2 Hg1'
_cell_volume   137.30765120
_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
  Ba  Ba0  1  0.37176541  0.37176541  0.74352982  1.0
  Ba  Ba1  1  0.62823459  0.62823459  0.25647018  1.0
  Hg  Hg2  1  0.00000000  -0.00000000  -0.00000000  1.0