data_AgHg2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg2P
_chemical_formula_sum   'Ag1 Hg2 P1'
_cell_volume   82.58
_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
  Ag  Ag0  1  0.0  0.0  0.48  1.0
  Hg  Hg1  1  0.86  0.0  0.75  1.0
  Hg  Hg2  1  0.86  0.0  0.21  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_AgHg2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg2P
_chemical_formula_sum   'Ag1 Hg2 P1'
_cell_volume   82.58
_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
  Ag  Ag0  1  0.0  0.0  0.48  1.0
  Hg  Hg1  1  0.86  0.0  0.21  1.0
  Hg  Hg2  1  0.86  0.0  0.75  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ag Hg Hg P
Ag Hg Hg P 0 2 - o o 0 1 - o o 1 3 + o + 2 3 + o o 