data_Ag2HgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgP2
_chemical_formula_sum   'Ag8 Hg4 P8'
_cell_volume   422.35
_cell_formula_units_Z   4
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
  Ag  Ag0  1  0.92  0.6  0.41  1.0
  Ag  Ag1  1  0.46  0.79  0.59  1.0
  Ag  Ag2  1  0.6  0.73  0.18  1.0
  Ag  Ag3  1  0.79  0.66  0.0  1.0
  Ag  Ag4  1  0.66  0.79  0.36  1.0
  Ag  Ag5  1  0.73  0.6  0.18  1.0
  Ag  Ag6  1  0.6  0.92  0.94  1.0
  Ag  Ag7  1  0.79  0.46  0.77  1.0
  Hg  Hg8  1  0.44  0.44  0.0  1.0
  Hg  Hg9  1  0.95  0.95  0.18  1.0
  Hg  Hg10  1  0.14  0.25  0.77  1.0
  Hg  Hg11  1  0.25  0.14  0.59  1.0
  P  P12  1  0.38  0.95  0.1  1.0
  P  P13  1  0.01  0.43  0.28  1.0
  P  P14  1  0.63  0.57  0.86  1.0
  P  P15  1  0.76  0.81  0.69  1.0
  P  P16  1  0.81  0.76  0.67  1.0
  P  P17  1  0.57  0.63  0.49  1.0
  P  P18  1  0.95  0.38  0.26  1.0
  P  P19  1  0.43  0.01  0.08  1.0

data_Ag2HgP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgP2
_chemical_formula_sum   'Ag8 Hg4 P8'
_cell_volume   422.35
_cell_formula_units_Z   4
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
  Ag  Ag0  1  0.46  0.79  0.59  1.0
  Ag  Ag1  1  0.6  0.73  0.18  1.0
  Ag  Ag2  1  0.6  0.92  0.94  1.0
  Ag  Ag3  1  0.66  0.79  0.36  1.0
  Ag  Ag4  1  0.73  0.6  0.18  1.0
  Ag  Ag5  1  0.79  0.46  0.77  1.0
  Ag  Ag6  1  0.79  0.66  0.0  1.0
  Ag  Ag7  1  0.92  0.6  0.41  1.0
  Hg  Hg8  1  0.14  0.25  0.77  1.0
  Hg  Hg9  1  0.25  0.14  0.59  1.0
  Hg  Hg10  1  0.44  0.44  0.0  1.0
  Hg  Hg11  1  0.95  0.95  0.18  1.0
  P  P12  1  0.01  0.43  0.28  1.0
  P  P13  1  0.38  0.95  0.1  1.0
  P  P14  1  0.43  0.01  0.08  1.0
  P  P15  1  0.57  0.63  0.49  1.0
  P  P16  1  0.63  0.57  0.86  1.0
  P  P17  1  0.76  0.81  0.69  1.0
  P  P18  1  0.81  0.76  0.67  1.0
  P  P19  1  0.95  0.38  0.26  1.0

Ag Ag Ag Ag Ag Ag Ag Ag Hg Hg Hg Hg P P P P P P P P
Ag Ag Ag Ag Ag Ag Ag Ag Hg Hg Hg Hg P P P P P P P P 0 4 o o o 0 13 + o o 0 18 o o o 0 9 o o o 1 17 o o o 2 5 o o o 2 4 o o o 2 9 o o o 3 14 o o - 3 5 o o o 3 6 o o - 3 9 o o o 4 17 o o o 4 9 o o o 5 9 o o o 6 19 o + + 6 12 o o + 6 9 o o + 7 14 o o o 8 14 o o - 9 19 + + o 9 12 + o o 9 13 + + o 9 18 o + o 10 11 o o o 12 19 o + o 13 18 - o o 15 16 o o o 