data_TlCuRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   156.83
_cell_angle_beta   156.83
_cell_angle_gamma   32.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCuRe
_chemical_formula_sum   'Tl1 Cu1 Re1'
_cell_volume   53.69
_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  Tl2  1  0.0  0.0  1.0  1.0
  Cu  Cu0  1  0.0  0.0  0.22  1.0
  Re  Re1  1  0.0  0.0  0.74  1.0

data_TlCuRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   106.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCuRe
_chemical_formula_sum   'Tl2 Cu2 Re2'
_cell_volume   107.38
_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  0.5  0.5  1.0  1.0
  Cu  Cu1  2  0.22  0.0  0.22  1.0
  Re  Re2  2  0.24  0.5  0.74  1.0

Tl Cu Re