data_MgTlRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlRe
_chemical_formula_sum   'Mg1 Tl1 Re1'
_cell_volume   56.44
_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
  Mg  Mg0  1  0.0  0.0  0.75  1.0
  Tl  Tl2  1  0.39  0.38  0.91  1.0
  Re  Re1  1  0.0  0.76  0.07  1.0

data_MgTlRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlRe
_chemical_formula_sum   'Mg1 Tl1 Re1'
_cell_volume   56.44
_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
  Mg  Mg0  1  0.75  0.0  0.0  1.0
  Tl  Tl1  1  0.91  0.39  0.38  1.0
  Re  Re2  1  0.07  0.0  0.76  1.0

Mg Tl Re
Mg Tl Re 0 2 o - + 0 1 o o o 