data_SrTl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   127.71
_cell_angle_beta   127.71
_cell_angle_gamma   77.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Ru
_chemical_formula_sum   'Sr1 Tl2 Ru1'
_cell_volume   96.0
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.38  0.0  0.11  1.0
  Tl  Tl3  1  0.0  0.38  0.11  1.0
  Ru  Ru0  1  0.0  0.0  0.23  1.0

data_SrTl2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   128.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTl2Ru
_chemical_formula_sum   'Sr2 Tl4 Ru2'
_cell_volume   192.0
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.31  0.31  0.73  1.0
  Ru  Ru2  2  0.0  0.0  0.23  1.0

Sr Tl Tl Ru