data_AgTe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   4.52
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTe2Au
_chemical_formula_sum   'Ag2 Te4 Au2'
_cell_volume   188.48
_cell_formula_units_Z   2
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  0.0  1.0
  Ag  Ag1  1  0.93  0.0  0.0  1.0
  Te  Te4  1  0.97  0.0  0.99  1.0
  Te  Te5  1  0.9  0.0  0.31  1.0
  Te  Te6  1  0.97  0.26  0.6  1.0
  Te  Te7  1  0.9  0.26  0.7  1.0
  Au  Au2  1  0.93  0.26  0.65  1.0
  Au  Au3  1  0.0  0.26  0.65  1.0

data_AgTe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   5.3
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgTe2Au
_chemical_formula_sum   'Ag2 Te4 Au2'
_cell_volume   188.48
_cell_formula_units_Z   2
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  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.93  1.0
  Te  Te2  1  0.0  0.31  0.9  1.0
  Te  Te3  1  0.0  0.99  0.97  1.0
  Te  Te4  1  0.26  0.6  0.97  1.0
  Te  Te5  1  0.26  0.7  0.9  1.0
  Au  Au6  1  0.26  0.65  -0.0  1.0
  Au  Au7  1  0.26  0.65  0.93  1.0

Ag Ag Te Te Te Te Au Au
Ag Ag Te Te Te Te Au Au 0 2 - o - 0 3 - o o 1 2 o o - 1 3 o o o 2 3 o o + 3 4 o o o 4 6 o o o 4 7 + o o 5 6 o o o 