data_CaNiHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   41.29
_cell_angle_beta   41.29
_cell_angle_gamma   41.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiHg2
_chemical_formula_sum   'Ca1 Ni1 Hg2'
_cell_volume   90.78
_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  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.4  1.0
  Hg  Hg1  1  0.0  0.0  0.11  1.0
  Hg  Hg2  1  0.0  0.0  0.69  1.0

data_CaNiHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.49
_cell_length_b   4.33
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   114.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaNiHg2
_chemical_formula_sum   'Ca2 Ni2 Hg4'
_cell_volume   181.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.6  1.0
  Hg  Hg2  2  -0.0  0.0  0.31  1.0
  Hg  Hg3  2  0.0  0.0  0.89  1.0

Ca Ni Hg Hg