data_ZnCr2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   141.17
_cell_angle_beta   133.73
_cell_angle_gamma   61.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Hg
_chemical_formula_sum   'Zn1 Cr2 Hg1'
_cell_volume   58.03
_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  Zn3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.99  0.21  1.0
  Cr  Cr1  1  0.68  0.0  0.13  1.0
  Hg  Hg2  1  0.0  0.0  0.34  1.0

data_ZnCr2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.98
_cell_length_c   5.06
_cell_angle_alpha   113.13
_cell_angle_beta   109.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Hg
_chemical_formula_sum   'Zn1 Cr2 Hg1'
_cell_volume   58.03
_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
  Cr  Cr1  1  0.0  0.13  0.44  1.0
  Cr  Cr2  1  0.01  0.22  0.22  1.0
  Hg  Hg3  1  0.0  0.34  0.34  1.0

Zn Cr Cr Hg