data_Zn2CrHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   2.75
_cell_angle_alpha   102.71
_cell_angle_beta   102.71
_cell_angle_gamma   117.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrHg
_chemical_formula_sum   'Zn2 Cr1 Hg1'
_cell_volume   63.56
_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  0.81  0.7  0.24  1.0
  Zn  Zn3  1  0.81  0.3  0.24  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.78  0.0  0.0  1.0

data_Zn2CrHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.06
_cell_length_c   5.37
_cell_angle_alpha   116.84
_cell_angle_beta   102.71
_cell_angle_gamma   94.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrHg
_chemical_formula_sum   'Zn2 Cr1 Hg1'
_cell_volume   63.56
_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  0.54  0.3  0.1  1.0
  Zn  Zn1  1  0.95  0.7  0.51  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.78  1.0

Zn Zn Cr Hg