data_ZnCrHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   150.45
_cell_angle_beta   150.45
_cell_angle_gamma   42.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrHg
_chemical_formula_sum   'Zn1 Cr1 Hg1'
_cell_volume   52.6
_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  0.0  0.32  1.0
  Cr  Cr0  1  0.0  0.0  0.12  1.0
  Hg  Hg1  1  0.0  0.0  0.76  1.0

data_ZnCrHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   111.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCrHg
_chemical_formula_sum   'Zn2 Cr2 Hg2'
_cell_volume   105.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.32  0.0  0.32  1.0
  Cr  Cr1  2  0.12  0.0  0.12  1.0
  Hg  Hg2  2  0.26  0.5  0.76  1.0

Zn Cr Hg
Zn Cr Hg 0 1 o o o 1 2 o o - 