data_TlReAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   7.65
_cell_length_c   2.87
_cell_angle_alpha   83.29
_cell_angle_beta   75.43
_cell_angle_gamma   21.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlReAg
_chemical_formula_sum   'Tl1 Re1 Ag1'
_cell_volume   57.11
_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
  Tl  Tl2  1  0.6  0.38  0.93  1.0
  Re  Re1  1  0.6  0.38  0.92  1.0
  Ag  Ag0  1  0.6  0.38  0.11  1.0

data_TlReAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.2
_cell_length_b   14.97
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   123.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlReAg
_chemical_formula_sum   'Tl2 Re2 Ag2'
_cell_volume   114.22
_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
  Tl  Tl0  2  0.08  0.0  0.46  1.0
  Re  Re1  2  0.09  0.0  0.48  1.0
  Ag  Ag2  2  0.4  0.5  0.28  1.0

Tl Re Ag