[CIF]
data_CaNi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53654615
_cell_length_b   8.53654615
_cell_length_c   8.53654615
_cell_angle_alpha   21.78442722
_cell_angle_beta   21.78442722
_cell_angle_gamma   21.78442722
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi2Hg
_chemical_formula_sum   'Ca1 Ni2 Hg1'
_cell_volume   75.09202345
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1
  Hg  Hg1  1  -0.00000000  0.00000000  12.49629093  1
  Ni  Ni2  1  -0.00000000  0.00000000  18.86180606  1
  Ni  Ni3  1  0.00000000  0.00000000  6.13077580  1
[/CIF]
