data_Ag2HgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.41
_cell_angle_alpha   97.5
_cell_angle_beta   97.5
_cell_angle_gamma   31.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgW
_chemical_formula_sum   'Ag2 Hg1 W1'
_cell_volume   72.59
_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  0.02  0.0  0.01  1.0
  Ag  Ag1  1  0.87  0.0  0.07  1.0
  Hg  Hg2  1  0.49  0.0  0.63  1.0
  W  W3  1  0.11  0.0  0.33  1.0

data_Ag2HgW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.06
_cell_length_c   5.41
_cell_angle_alpha   97.5
_cell_angle_beta   90.0
_cell_angle_gamma   105.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgW
_chemical_formula_sum   'Ag2 Hg1 W1'
_cell_volume   72.59
_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  0.13  0.93  1.0
  Ag  Ag1  1  0.0  0.98  0.99  1.0
  Hg  Hg2  1  0.0  0.51  0.37  1.0
  W  W3  1  0.0  0.89  0.67  1.0

Ag Ag Hg W