data_HfMn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   5.04
_cell_angle_alpha   103.67
_cell_angle_beta   103.67
_cell_angle_gamma   36.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Hg
_chemical_formula_sum   'Hf1 Mn2 Hg1'
_cell_volume   71.51
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.39  0.0  0.73  1.0
  Mn  Mn3  1  0.78  0.0  0.15  1.0
  Hg  Hg1  1  0.08  0.0  0.44  1.0

data_HfMn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.96
_cell_length_c   5.04
_cell_angle_alpha   103.67
_cell_angle_beta   90.0
_cell_angle_gamma   108.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Hg
_chemical_formula_sum   'Hf1 Mn2 Hg1'
_cell_volume   71.51
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.22  0.85  1.0
  Mn  Mn2  1  0.0  0.61  0.27  1.0
  Hg  Hg3  1  0.0  0.92  0.56  1.0

Hf Mn Mn Hg