data_FeAg2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.21
_cell_angle_alpha   99.86
_cell_angle_beta   99.86
_cell_angle_gamma   33.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAg2Hg
_chemical_formula_sum   'Fe1 Ag2 Hg1'
_cell_volume   70.71
_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
  Fe  Fe2  1  0.29  0.0  0.58  1.0
  Ag  Ag0  1  0.57  0.0  0.07  1.0
  Ag  Ag1  1  0.62  0.0  0.81  1.0
  Hg  Hg3  1  0.95  0.0  0.35  1.0

data_FeAg2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.97
_cell_length_c   5.21
_cell_angle_alpha   99.86
_cell_angle_beta   90.0
_cell_angle_gamma   106.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAg2Hg
_chemical_formula_sum   'Fe1 Ag2 Hg1'
_cell_volume   70.71
_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
  Fe  Fe0  1  0.0  0.71  0.42  1.0
  Ag  Ag1  1  0.0  0.38  0.19  1.0
  Ag  Ag2  1  0.0  0.43  0.93  1.0
  Hg  Hg3  1  0.0  0.05  0.65  1.0

Fe Ag Ag Hg