data_TlRe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   3.8
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   91.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe2Ni
_chemical_formula_sum   'Tl1 Re2 Ni1'
_cell_volume   64.85
_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  0.91  0.9  0.05  1.0
  Re  Re1  1  0.08  0.9  0.07  1.0
  Re  Re2  1  0.32  0.0  0.17  1.0
  Ni  Ni0  1  0.31  0.0  0.46  1.0

data_TlRe2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.8
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   91.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe2Ni
_chemical_formula_sum   'Tl1 Re2 Ni1'
_cell_volume   64.85
_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  0.91  0.9  0.05  1.0
  Re  Re1  1  0.08  0.9  0.07  1.0
  Re  Re2  1  0.32  0.0  0.17  1.0
  Ni  Ni3  1  0.31  0.0  0.46  1.0

Tl Re Re Ni