data_MgTlRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   156.53
_cell_angle_beta   156.53
_cell_angle_gamma   33.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlRe
_chemical_formula_sum   'Mg1 Tl1 Re1'
_cell_volume   58.76
_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  0.53  1.0
  Tl  Tl2  1  0.0  0.0  0.29  1.0
  Re  Re1  1  0.0  0.0  0.7  1.0

data_MgTlRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTlRe
_chemical_formula_sum   'Mg2 Tl2 Re2'
_cell_volume   117.52
_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
  Mg  Mg0  2  0.0  0.0  0.47  1.0
  Tl  Tl1  2  0.0  0.0  0.71  1.0
  Re  Re2  2  0.0  0.0  0.3  1.0

Mg Tl Re