data_TlReAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   130.11
_cell_angle_beta   130.11
_cell_angle_gamma   73.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlReAg2
_chemical_formula_sum   'Tl1 Re1 Ag2'
_cell_volume   73.63
_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  Tl3  1  0.0  0.13  0.03  1.0
  Re  Re2  1  0.0  0.0  0.06  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.13  0.0  0.03  1.0

data_TlReAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.05
_cell_angle_alpha   114.94
_cell_angle_beta   114.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlReAg2
_chemical_formula_sum   'Tl1 Re1 Ag2'
_cell_volume   73.63
_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  Tl0  1  0.9  0.03  0.9  1.0
  Re  Re1  1  0.06  0.06  0.06  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.03  0.9  0.9  1.0

Tl Re Ag Ag