data_Ag2HgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   137.34
_cell_angle_beta   137.34
_cell_angle_gamma   61.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgAs2
_chemical_formula_sum   'Ag2 Hg1 As2'
_cell_volume   111.27
_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  0.28  0.68  1.0
  Ag  Ag1  1  0.28  0.0  0.68  1.0
  Hg  Hg4  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.0  0.59  1.0
  As  As3  1  0.0  0.0  0.14  1.0

data_Ag2HgAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   120.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2HgAs2
_chemical_formula_sum   'Ag4 Hg2 As4'
_cell_volume   222.53
_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  4  0.36  0.36  0.41  1.0
  Hg  Hg1  2  0.0  0.0  0.0  1.0
  As  As2  2  0.0  0.0  0.14  1.0
  As  As3  2  0.0  0.0  0.59  1.0

Ag Ag Hg As As