[CIF]
data_CaRe2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14278959
_cell_length_b   3.14278959
_cell_length_c   8.09139638
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRe2Hg
_chemical_formula_sum   'Ca1 Re2 Hg1'
_cell_volume   79.91974485
_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  3.88365479  1
  Hg  Hg1  1  1.57139480  1.57139480  6.29888256  1
  Re  Re2  1  0.00000000  0.00000000  0.32823437  1
  Re  Re3  1  1.57139480  1.57139480  1.62632285  1
[/CIF]
