data_Hg2AsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   10.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2AsPb
_chemical_formula_sum   'Hg2 As1 Pb1'
_cell_volume   108.66
_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
  Hg  Hg1  1  0.99  0.0  0.13  1.0
  Hg  Hg2  1  0.0  0.0  0.83  1.0
  As  As0  1  0.0  0.0  0.67  1.0
  Pb  Pb3  1  0.99  0.0  0.84  1.0

data_Hg2AsPb
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.98
_cell_length_b   5.29
_cell_length_c   10.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   Hg2AsPb
_chemical_formula_sum   'Hg4 As2 Pb2'
_cell_volume   217.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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
  Hg  Hg0  2  0.0  0.0  0.17  1.0
  Hg  Hg1  2  0.0  0.0  0.87  1.0
  As  As2  2  0.0  0.0  0.33  1.0
  Pb  Pb3  2  0.0  0.0  0.16  1.0

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