[CIF]
data_CaHgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30416234
_cell_length_b   4.30416234
_cell_length_c   3.52549839
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHgB2
_chemical_formula_sum   'Ca1 Hg1 B2'
_cell_volume   65.31272564
_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
  B  B0  1  2.15208117  0.00000000  1.76274920  1
  B  B1  1  0.00000000  2.15208117  1.76274920  1
  Ca  Ca2  1  0.00000000  0.00000000  0.00000000  1
  Hg  Hg3  1  2.15208117  2.15208117  0.00000000  1
[/CIF]
