# generated using pymatgen
data_Hg3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16347344
_cell_length_b   6.15257038
_cell_length_c   5.17223300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.77877256
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3B
_chemical_formula_sum   'Hg6 B2'
_cell_volume   168.51127493
_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
  Hg  Hg0  1  0.17099600  0.34144700  0.25000100  1.0
  Hg  Hg1  1  0.65860200  0.82900800  0.25000100  1.0
  Hg  Hg2  1  0.17057700  0.82934500  0.25000100  1.0
  Hg  Hg3  1  0.82898700  0.65854300  0.75000100  1.0
  Hg  Hg4  1  0.34141600  0.17102700  0.75000100  1.0
  Hg  Hg5  1  0.82934600  0.17073600  0.75000100  1.0
  B  B6  1  0.33393200  0.66571500  0.75000100  1.0
  B  B7  1  0.66614500  0.33418300  0.25000100  1.0