data_Co4Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   99.3
_cell_angle_beta   99.3
_cell_angle_gamma   132.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co4Hg
_chemical_formula_sum   'Co4 Hg1'
_cell_volume   64.53
_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  0.86  0.5  0.84  1.0
  Co  Co1  1  0.1  0.46  0.0  1.0
  Co  Co2  1  0.47  0.1  0.0  1.0
  Co  Co3  1  0.5  0.86  0.84  1.0
  Hg  Hg4  1  0.0  0.0  0.0  1.0

data_Co4Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.68
_cell_length_b   8.38
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   113.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co4Hg
_chemical_formula_sum   'Co8 Hg2'
_cell_volume   129.06
_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  4  0.22  0.32  -0.0  1.0
  Co  Co1  4  0.32  0.18  0.16  1.0
  Hg  Hg2  2  0.0  0.0  0.0  1.0

Co Co Co Co Hg