data_TaTlRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.03
_cell_angle_alpha   102.93
_cell_angle_beta   102.93
_cell_angle_gamma   35.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlRe2
_chemical_formula_sum   'Ta1 Tl1 Re2'
_cell_volume   70.89
_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
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.14  0.0  0.44  1.0
  Re  Re0  1  0.69  0.0  0.05  1.0
  Re  Re1  1  0.59  0.0  0.83  1.0

data_TaTlRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.97
_cell_length_c   5.03
_cell_angle_alpha   102.93
_cell_angle_beta   90.0
_cell_angle_gamma   107.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlRe2
_chemical_formula_sum   'Ta1 Tl1 Re2'
_cell_volume   70.89
_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
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.86  0.56  1.0
  Re  Re2  1  0.0  0.31  0.95  1.0
  Re  Re3  1  0.0  0.41  0.17  1.0

Ta Tl Re Re
Ta Tl Re Re 0 2 - o o 0 1 o o o 1 2 - o o 1 3 o o o 2 3 o o - 