data_SrZn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   133.52
_cell_angle_beta   120.22
_cell_angle_gamma   78.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZn2Hg
_chemical_formula_sum   'Sr1 Zn2 Hg1'
_cell_volume   99.41
_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
  Sr  Sr1  1  0.0  0.0  0.4  1.0
  Zn  Zn2  1  0.16  0.0  0.4  1.0
  Zn  Zn3  1  0.0  0.0  0.92  1.0
  Hg  Hg0  1  0.16  0.0  0.95  1.0

data_SrZn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   5.45
_cell_length_c   5.47
_cell_angle_alpha   119.89
_cell_angle_beta   113.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZn2Hg
_chemical_formula_sum   'Sr1 Zn2 Hg1'
_cell_volume   99.41
_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
  Sr  Sr0  1  0.0  0.4  0.4  1.0
  Zn  Zn1  1  0.0  0.4  0.24  1.0
  Zn  Zn2  1  0.0  0.92  0.92  1.0
  Hg  Hg3  1  0.0  0.95  0.79  1.0

Sr Zn Zn Hg
Sr Zn Zn Hg 0 1 o o o 2 3 o o o 