data_MnHgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   151.15
_cell_angle_beta   129.7
_cell_angle_gamma   59.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHgIr2
_chemical_formula_sum   'Mn1 Hg1 Ir2'
_cell_volume   61.64
_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  Mn3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.79  1.0
  Ir  Ir1  1  0.37  0.0  0.12  1.0
  Ir  Ir2  1  0.0  0.34  0.67  1.0

data_MnHgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.68
_cell_length_c   5.51
_cell_angle_alpha   115.15
_cell_angle_beta   104.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHgIr2
_chemical_formula_sum   'Mn1 Hg1 Ir2'
_cell_volume   61.64
_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  0.21  0.21  0.21  1.0
  Ir  Ir2  1  0.25  0.88  0.25  1.0
  Ir  Ir3  1  0.33  0.67  0.67  1.0

Mn Hg Ir Ir