data_SiAg2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   132.74
_cell_angle_beta   132.74
_cell_angle_gamma   69.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAg2Hg
_chemical_formula_sum   'Si1 Ag2 Hg1'
_cell_volume   74.74
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.09  0.0  0.14  1.0
  Ag  Ag1  1  0.0  0.0  0.29  1.0
  Hg  Hg2  1  0.0  0.09  0.14  1.0

data_SiAg2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.21
_cell_angle_alpha   113.63
_cell_angle_beta   113.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAg2Hg
_chemical_formula_sum   'Si1 Ag2 Hg1'
_cell_volume   74.74
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.14  0.06  0.06  1.0
  Ag  Ag2  1  0.29  0.29  0.29  1.0
  Hg  Hg3  1  0.06  0.14  0.06  1.0

Si Ag Ag Hg