data_Ag2HgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.14
_cell_length_b   10.14
_cell_length_c   10.14
_cell_angle_alpha   16.46
_cell_angle_beta   16.46
_cell_angle_gamma   16.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgMo
_chemical_formula_sum   'Ag2 Hg1 Mo1'
_cell_volume   73.12
_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  0.4  1.0
  Ag  Ag1  1  0.0  0.0  0.61  1.0
  Hg  Hg2  1  0.0  0.0  0.01  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Ag2HgMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   2.9
_cell_length_c   10.14
_cell_angle_alpha   90.0
_cell_angle_beta   99.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2HgMo
_chemical_formula_sum   'Ag4 Hg2 Mo2'
_cell_volume   146.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.39  1.0
  Ag  Ag1  2  0.0  0.0  0.6  1.0
  Hg  Hg2  2  -0.0  0.0  0.99  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

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