data_Zn2SnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   137.68
_cell_angle_beta   137.68
_cell_angle_gamma   61.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnHg
_chemical_formula_sum   'Zn2 Sn1 Hg1'
_cell_volume   85.86
_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  0.0  0.08  0.48  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.96  1.0
  Hg  Hg0  1  0.08  0.0  0.48  1.0

data_Zn2SnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.76
_cell_angle_alpha   111.16
_cell_angle_beta   111.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnHg
_chemical_formula_sum   'Zn2 Sn1 Hg1'
_cell_volume   85.86
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.4  0.48  0.4  1.0
  Sn  Sn2  1  0.96  0.96  0.96  1.0
  Hg  Hg3  1  0.48  0.4  0.4  1.0

Zn Zn Sn Hg
Zn Zn Sn Hg 0 3 o o o 1 2 o o - 