data_[Sm14Tl4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8194]
_cell_length_b [16.6699]
_cell_length_c [9.9970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Sm7(TlRu)2]
_chemical_formula_sum '[Sm14 Tl4 Ru4]'
_cell_volume [636.4970]
_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
[
  Sm  Sm0  4  0.0000  0.1528  0.7443  1.0
  Sm  Sm1  4  0.0000  0.1817  0.0987  1.0
  Sm  Sm2  4  0.0000  0.3655  0.9005  1.0
  Sm  Sm3  2  0.0000  0.5000  0.4670  1.0
  Tl  Tl4  2  0.0000  0.0000  0.2318  1.0
  Tl  Tl5  2  0.0000  0.5000  0.1418  1.0
  Ru  Ru6  4  0.0000  0.2605  0.4093  1.0
]