data_[Sm4Tl2Cu2O10]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.7601]
_cell_length_b [6.7601]
_cell_length_c [5.6660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sm2TlCuO5]
_chemical_formula_sum '[Sm4 Tl2 Cu2 O10]'
_cell_volume [258.9283]
_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  0.1767  0.3233  0.5000  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  2  0.0000  0.5000  0.0000  1
  O  O3  8  0.1282  0.6282  0.2486  1
  O  O4  2  0.0000  0.0000  0.5000  1
]