data_TlAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14
_cell_length_b   9.14
_cell_length_c   9.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAg2
_chemical_formula_sum   'Tl8 Ag16'
_cell_volume   540.45
_cell_formula_units_Z   8
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
  Tl  Tl16  1  0.49  0.49  0.44  1.0
  Tl  Tl17  1  0.44  0.44  0.44  1.0
  Tl  Tl18  1  0.49  0.44  0.49  1.0
  Tl  Tl19  1  0.44  0.49  0.49  1.0
  Tl  Tl20  1  0.67  0.67  0.73  1.0
  Tl  Tl21  1  0.73  0.73  0.73  1.0
  Tl  Tl22  1  0.67  0.73  0.67  1.0
  Tl  Tl23  1  0.73  0.67  0.67  1.0
  Ag  Ag0  1  0.62  0.85  0.85  1.0
  Ag  Ag1  1  0.85  0.62  0.85  1.0
  Ag  Ag2  1  0.62  0.62  0.62  1.0
  Ag  Ag3  1  0.85  0.85  0.62  1.0
  Ag  Ag4  1  0.7  0.7  0.54  1.0
  Ag  Ag5  1  0.86  0.7  0.7  1.0
  Ag  Ag6  1  0.7  0.86  0.7  1.0
  Ag  Ag7  1  0.7  0.54  0.7  1.0
  Ag  Ag8  1  0.54  0.7  0.7  1.0
  Ag  Ag9  1  0.7  0.7  0.86  1.0
  Ag  Ag10  1  0.47  0.47  0.62  1.0
  Ag  Ag11  1  0.31  0.47  0.47  1.0
  Ag  Ag12  1  0.47  0.31  0.47  1.0
  Ag  Ag13  1  0.47  0.62  0.47  1.0
  Ag  Ag14  1  0.62  0.47  0.47  1.0
  Ag  Ag15  1  0.47  0.47  0.31  1.0

data_TlAg2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.14
_cell_length_b   9.14
_cell_length_c   22.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlAg2
_chemical_formula_sum   'Tl24 Ag48'
_cell_volume   1621.36
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Tl  Tl0  9  0.02  0.04  0.31  1.0
  Tl  Tl1  9  0.04  0.02  0.53  1.0
  Tl  Tl2  3  0.0  0.0  0.27  1.0
  Tl  Tl3  3  0.0  0.0  0.56  1.0
  Ag  Ag4  9  0.05  0.11  0.25  1.0
  Ag  Ag5  9  0.05  0.11  0.48  1.0
  Ag  Ag6  9  0.11  0.05  0.36  1.0
  Ag  Ag7  9  0.11  0.05  0.59  1.0
  Ag  Ag8  9  0.16  0.08  0.23  1.0
  Ag  Ag9  3  0.0  0.0  0.38  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag