data_Ag2HgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.27
_cell_angle_alpha   97.31
_cell_angle_beta   97.31
_cell_angle_gamma   31.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgMo
_chemical_formula_sum   'Ag2 Hg1 Mo1'
_cell_volume   72.63
_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  0.99  0.0  0.98  1.0
  Ag  Ag1  1  0.22  0.0  0.24  1.0
  Hg  Hg2  1  0.6  0.0  0.61  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Ag2HgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.15
_cell_length_c   5.27
_cell_angle_alpha   97.31
_cell_angle_beta   90.0
_cell_angle_gamma   105.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgMo
_chemical_formula_sum   'Ag2 Hg1 Mo1'
_cell_volume   72.63
_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  0.01  0.02  1.0
  Ag  Ag1  1  0.0  0.78  0.76  1.0
  Hg  Hg2  1  0.0  0.4  0.39  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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