data_Mn2HgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.81
_cell_angle_alpha   102.02
_cell_angle_beta   102.02
_cell_angle_gamma   39.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2HgPb
_chemical_formula_sum   'Mn2 Hg1 Pb1'
_cell_volume   85.11
_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  Mn1  1  0.6  0.0  0.21  1.0
  Mn  Mn2  1  0.3  0.0  0.46  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.95  0.0  0.83  1.0

data_Mn2HgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.87
_cell_length_c   5.81
_cell_angle_alpha   102.02
_cell_angle_beta   90.0
_cell_angle_gamma   109.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2HgPb
_chemical_formula_sum   'Mn2 Hg1 Pb1'
_cell_volume   85.11
_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  0.4  0.79  1.0
  Mn  Mn1  1  0.0  0.7  0.54  1.0
  Hg  Hg2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.05  0.17  1.0

Mn Mn Hg Pb
Mn Mn Hg Pb 0 1 o o o 0 2 + o o 2 3 - o - 