data_CoSiHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78
_cell_length_b   8.78
_cell_length_c   8.78
_cell_angle_alpha   20.73
_cell_angle_beta   20.73
_cell_angle_gamma   20.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSiHg2
_chemical_formula_sum   'Co1 Si1 Hg2'
_cell_volume   74.35
_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
  Co  Co0  1  0.0  0.0  0.68  1.0
  Si  Si3  1  0.0  0.0  0.36  1.0
  Hg  Hg1  1  0.0  0.0  0.38  1.0
  Hg  Hg2  1  0.0  0.0  0.25  1.0

data_CoSiHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   3.16
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   101.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoSiHg2
_chemical_formula_sum   'Co2 Si2 Hg4'
_cell_volume   148.7
_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
  Co  Co0  2  -0.0  0.0  0.32  1.0
  Si  Si1  2  0.0  0.0  0.64  1.0
  Hg  Hg2  2  -0.0  0.0  0.75  1.0
  Hg  Hg3  2  0.0  0.0  0.62  1.0

Co Si Hg Hg
Co Si Hg Hg 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 