data_MnZnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.99
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   94.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnHg2
_chemical_formula_sum   'Mn1 Zn1 Hg2'
_cell_volume   76.97
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.78  0.0  0.06  1.0
  Hg  Hg0  1  0.04  1.0  0.62  1.0
  Hg  Hg1  1  0.66  1.0  0.5  1.0

data_MnZnHg2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.15
_cell_length_b   3.99
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   94.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnZnHg2
_chemical_formula_sum   'Mn1 Zn1 Hg2'
_cell_volume   76.97
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.78  0.0  0.06  1.0
  Hg  Hg2  1  0.04  0.0  0.62  1.0
  Hg  Hg3  1  0.66  0.0  0.5  1.0

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