data_La2TlRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   149.12
_cell_angle_beta   134.82
_cell_angle_gamma   55.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlRe
_chemical_formula_sum   'La2 Tl1 Re1'
_cell_volume   108.56
_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
  La  La0  1  0.0  0.0  0.79  1.0
  La  La1  1  0.78  0.0  0.59  1.0
  Tl  Tl3  1  0.0  0.57  0.32  1.0
  Re  Re2  1  0.0  0.0  0.98  1.0

data_La2TlRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.14
_cell_length_c   6.7
_cell_angle_alpha   112.59
_cell_angle_beta   105.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlRe
_chemical_formula_sum   'La2 Tl1 Re1'
_cell_volume   108.56
_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
  La  La0  1  0.19  0.41  0.19  1.0
  La  La1  1  0.21  0.21  0.21  1.0
  Tl  Tl2  1  0.68  0.26  0.26  1.0
  Re  Re3  1  0.02  0.02  0.02  1.0

La La Tl Re
La La Tl Re 0 1 - o o 0 3 o o o 0 2 o - o 0 2 o o + 1 2 + - o 