data_MgTl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   135.17
_cell_angle_beta   135.17
_cell_angle_gamma   65.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2Ru
_chemical_formula_sum   'Mg1 Tl2 Ru1'
_cell_volume   79.95
_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  0.0  1.0
  Tl  Tl2  1  0.0  0.0  0.6  1.0
  Tl  Tl3  1  0.0  0.08  0.3  1.0
  Ru  Ru1  1  0.08  0.0  0.3  1.0

data_MgTl2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.47
_cell_angle_alpha   112.41
_cell_angle_beta   112.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2Ru
_chemical_formula_sum   'Mg1 Tl2 Ru1'
_cell_volume   79.95
_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  0.0  1.0
  Tl  Tl1  1  0.4  0.0  0.4  1.0
  Tl  Tl2  1  0.78  0.08  0.78  1.0
  Ru  Ru3  1  0.7  0.0  0.78  1.0

Mg Tl Tl Ru