data_Zn2GaHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.77
_cell_angle_alpha   101.79
_cell_angle_beta   101.79
_cell_angle_gamma   41.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GaHg
_chemical_formula_sum   'Zn2 Ga1 Hg1'
_cell_volume   76.06
_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  0.06  0.0  0.26  1.0
  Zn  Zn3  1  0.18  0.0  0.36  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.62  0.0  0.81  1.0

data_Zn2GaHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.53
_cell_length_c   5.77
_cell_angle_alpha   101.79
_cell_angle_beta   90.0
_cell_angle_gamma   110.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GaHg
_chemical_formula_sum   'Zn2 Ga1 Hg1'
_cell_volume   76.06
_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  0.0  0.82  0.64  1.0
  Zn  Zn1  1  0.0  0.94  0.74  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.38  0.19  1.0

Zn Zn Ga Hg