data_TlRe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   148.12
_cell_angle_beta   148.12
_cell_angle_gamma   45.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe2Cl
_chemical_formula_sum   'Tl1 Re2 Cl1'
_cell_volume   85.38
_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  0.22  1.0
  Re  Re1  1  0.85  0.0  0.11  1.0
  Re  Re2  1  0.0  0.85  0.11  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TlRe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   112.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlRe2Cl
_chemical_formula_sum   'Tl2 Re4 Cl2'
_cell_volume   170.75
_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  0.22  0.0  0.22  1.0
  Re  Re1  4  0.18  0.07  0.26  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Tl Re Re Cl