[CIF]
data_CaHgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49371149
_cell_length_b   5.49371149
_cell_length_c   5.49371149
_cell_angle_alpha   40.98400016
_cell_angle_beta   40.98400016
_cell_angle_gamma   40.98400016
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHgB2
_chemical_formula_sum   'Ca1 Hg1 B2'
_cell_volume   64.38311682
_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  -0.00000000  -0.00000000  3.26060774  1
  B  B1  1  -0.00000000  0.00000000  11.81395694  1
  Ca  Ca2  1  -0.00000000  0.00000000  -0.00000000  1
  Hg  Hg3  1  -0.00000000  0.00000000  7.53728234  1
[/CIF]
