data_InAg2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69
_cell_length_b   9.69
_cell_length_c   9.69
_cell_angle_alpha   18.94
_cell_angle_beta   18.94
_cell_angle_gamma   18.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAg2Hg
_chemical_formula_sum   'In1 Ag2 Hg1'
_cell_volume   83.87
_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
  In  In3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.14  1.0
  Ag  Ag1  1  0.0  0.0  0.41  1.0
  Hg  Hg2  1  0.0  0.0  0.27  1.0

data_InAg2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   3.19
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   100.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InAg2Hg
_chemical_formula_sum   'In2 Ag4 Hg2'
_cell_volume   167.75
_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
  In  In0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  -0.0  0.0  0.86  1.0
  Ag  Ag2  2  0.0  0.0  0.59  1.0
  Hg  Hg3  2  0.0  0.0  0.73  1.0

In Ag Ag Hg
In Ag Ag Hg 0 1 o o o 1 3 o o o 2 3 o o o 