data_AgHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   7.27
_cell_angle_alpha   96.99
_cell_angle_beta   96.99
_cell_angle_gamma   37.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHgAs2
_chemical_formula_sum   'Ag1 Hg1 As2'
_cell_volume   89.5
_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  0.29  0.0  0.69  1.0
  Hg  Hg3  1  0.65  0.0  0.55  1.0
  As  As1  1  0.38  0.0  0.11  1.0
  As  As2  1  0.06  0.0  0.46  1.0

data_AgHgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.5
_cell_length_c   7.27
_cell_angle_alpha   96.99
_cell_angle_beta   90.0
_cell_angle_gamma   108.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHgAs2
_chemical_formula_sum   'Ag1 Hg1 As2'
_cell_volume   89.5
_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  0.71  0.31  1.0
  Hg  Hg1  1  0.0  0.35  0.45  1.0
  As  As2  1  0.0  0.62  0.89  1.0
  As  As3  1  0.0  0.94  0.54  1.0

Ag Hg As As