data_MgZn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   4.42
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   99.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Hg
_chemical_formula_sum   'Mg1 Zn2 Hg1'
_cell_volume   76.36
_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
  Mg  Mg1  1  0.0  0.0  0.24  1.0
  Zn  Zn2  1  0.57  0.21  0.5  1.0
  Zn  Zn3  1  0.4  0.0  0.28  1.0
  Hg  Hg0  1  0.5  0.21  0.74  1.0

data_MgZn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.42
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   99.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Hg
_chemical_formula_sum   'Mg1 Zn2 Hg1'
_cell_volume   76.36
_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
  Mg  Mg0  1  0.0  0.0  0.24  1.0
  Zn  Zn1  1  0.4  0.0  0.28  1.0
  Zn  Zn2  1  0.57  0.21  0.5  1.0
  Hg  Hg3  1  0.5  0.21  0.74  1.0

Mg Zn Zn Hg