data_[Sr2Tl2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0138]
_cell_length_b [3.0707]
_cell_length_c [5.2310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrTlRu2]
_chemical_formula_sum '[Sr2 Tl2 Ru4]'
_cell_volume [164.5376]
_cell_formula_units_Z [2]
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  Sr0  2  0.4829  0.0000  0.4451  1
  Tl  Tl1  2  0.2756  0.0000  0.8102  1
  Ru  Ru2  2  0.0288  0.0000  0.9693  1
  Ru  Ru3  2  0.2127  0.5000  0.2754  1
]