data_SrAg2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   129.4
_cell_angle_beta   123.66
_cell_angle_gamma   79.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAg2Hg
_chemical_formula_sum   'Sr1 Ag2 Hg1'
_cell_volume   99.55
_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
  Sr  Sr3  1  0.0  0.0  0.07  1.0
  Ag  Ag0  1  0.0  0.56  0.01  1.0
  Ag  Ag1  1  0.0  0.0  0.34  1.0
  Hg  Hg2  1  0.0  0.56  0.14  1.0

data_SrAg2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   5.13
_cell_length_c   5.43
_cell_angle_alpha   118.17
_cell_angle_beta   115.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAg2Hg
_chemical_formula_sum   'Sr1 Ag2 Hg1'
_cell_volume   99.55
_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
  Sr  Sr0  1  0.0  0.07  0.07  1.0
  Ag  Ag1  1  0.0  0.34  0.34  1.0
  Ag  Ag2  1  0.44  0.44  0.44  1.0
  Hg  Hg3  1  0.44  0.58  0.58  1.0

Sr Ag Ag Hg