data_[Tl2Cu2Ru2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9468]
_cell_length_b [3.7622]
_cell_length_c [9.8125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCuRuSe3]
_chemical_formula_sum '[Tl2 Cu2 Ru2 Se6]'
_cell_volume [268.6022]
_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
[
  Tl  Tl0  2  0.2754  0.7500  0.2860  1
  Cu  Cu1  2  0.0800  0.7500  0.6089  1
  Ru  Ru2  2  0.3049  0.2500  0.8374  1
  Se  Se3  2  0.0987  0.7500  0.8541  1
  Se  Se4  2  0.2487  0.2500  0.5641  1
  Se  Se5  2  0.4651  0.2500  0.1175  1
]