data_TlCdRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdRe2
_chemical_formula_sum   'Tl1 Cd1 Re2'
_cell_volume   73.02
_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  0.0  0.94  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.49  0.0  0.45  1.0
  Re  Re2  1  0.49  0.0  0.43  1.0

data_TlCdRe2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   2.89
_cell_length_b   5.12
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   TlCdRe2
_chemical_formula_sum   'Tl2 Cd2 Re4'
_cell_volume   146.15
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.0  0.0  0.94  1.0
  Cd  Cd1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.0  0.5  0.43  1.0
  Re  Re3  2  0.0  0.5  0.45  1.0

Tl Cd Re Re