data_[Sr2Y1Tl1Cu2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  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 [Pmm2]
_cell_length_a [3.8338]
_cell_length_b [12.1918]
_cell_length_c [3.8474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr2YTlCu2O7]
_chemical_formula_sum '[Sr2 Y1 Tl1 Cu2 O7]'
_cell_volume [179.8271]
_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  Sr0  2  0.5000  0.2071  0.4846  1.0
  Y  Y1  1  0.5000  0.5000  0.4988  1.0
  Tl  Tl2  1  0.0000  0.0000  0.9319  1.0
  Cu  Cu3  2  0.0000  0.3613  0.9965  1.0
  O  O4  2  0.0000  0.1741  0.9986  1.0
  O  O5  2  0.0000  0.3799  0.4976  1.0
  O  O6  2  0.5000  0.3805  0.9979  1.0
  O  O7  1  0.5000  0.0000  0.5588  1.0
]