data_AgHgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   7.17
_cell_angle_alpha   155.68
_cell_angle_beta   155.68
_cell_angle_gamma   34.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHgAs
_chemical_formula_sum   'Ag1 Hg1 As1'
_cell_volume   62.38
_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  0.58  1.0
  Hg  Hg2  1  0.0  0.0  0.02  1.0
  As  As1  1  0.0  0.0  0.77  1.0

data_AgHgAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   107.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgHgAs
_chemical_formula_sum   'Ag2 Hg2 As2'
_cell_volume   124.75
_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
  Ag  Ag0  2  0.08  0.5  0.58  1.0
  Hg  Hg1  2  0.02  0.0  0.02  1.0
  As  As2  2  0.27  0.5  0.77  1.0

Ag Hg As
Ag Hg As 0 2 o o o 1 2 o o - 