data_Zn2CoHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   2.79
_cell_angle_alpha   100.7
_cell_angle_beta   100.7
_cell_angle_gamma   116.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CoHg
_chemical_formula_sum   'Zn2 Co1 Hg1'
_cell_volume   62.61
_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
  Zn  Zn2  1  0.87  0.8  0.3  1.0
  Zn  Zn3  1  0.87  0.2  0.3  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.72  0.0  0.0  1.0

data_Zn2CoHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.17
_cell_length_c   5.18
_cell_angle_alpha   116.99
_cell_angle_beta   100.7
_cell_angle_gamma   99.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CoHg
_chemical_formula_sum   'Zn2 Co1 Hg1'
_cell_volume   62.61
_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
  Zn  Zn0  1  0.1  0.8  0.67  1.0
  Zn  Zn1  1  0.51  0.2  0.07  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.72  1.0

Zn Zn Co Hg