data_AgHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   145.68
_cell_angle_beta   126.34
_cell_angle_gamma   65.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg3
_chemical_formula_sum   'Ag1 Hg3'
_cell_volume   94.44
_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  0.0  1.0
  Hg  Hg1  1  0.0  0.68  0.65  1.0
  Hg  Hg2  1  0.0  0.0  0.01  1.0
  Hg  Hg3  1  0.76  0.0  0.36  1.0

data_AgHg3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.37
_cell_length_c   5.95
_cell_angle_alpha   116.83
_cell_angle_beta   107.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg3
_chemical_formula_sum   'Ag1 Hg3'
_cell_volume   94.44
_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  0.0  1.0
  Hg  Hg1  1  0.0  0.01  0.01  1.0
  Hg  Hg2  1  0.0  0.36  0.6  1.0
  Hg  Hg3  1  0.32  0.97  0.97  1.0

Ag Hg Hg Hg