data_MnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   141.21
_cell_angle_beta   133.78
_cell_angle_gamma   61.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHg2
_chemical_formula_sum   'Mn1 Hg2'
_cell_volume   62.42
_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
  Hg  Hg0  1  0.0  0.0  0.99  1.0
  Hg  Hg1  1  0.0  0.0  0.91  1.0

data_MnHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.07
_cell_length_c   5.19
_cell_angle_alpha   113.11
_cell_angle_beta   109.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHg2
_chemical_formula_sum   'Mn1 Hg2'
_cell_volume   62.42
_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  Mn0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.01  0.01  0.01  1.0
  Hg  Hg2  1  0.09  0.09  0.09  1.0

Mn Hg Hg