data_Sr2YTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   12.19
_cell_length_c   3.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YTlCu2O7
_chemical_formula_sum   'Sr2 Y1 Tl1 Cu2 O7'
_cell_volume   179.83
_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  1  0.0  0.67  0.98  1.0
  Sr  Sr1  1  0.0  0.52  0.98  1.0
  Y  Y2  1  0.0  0.1  0.93  1.0
  Tl  Tl3  1  0.92  0.0  0.26  1.0
  Cu  Cu4  1  0.92  0.79  0.01  1.0
  Cu  Cu5  1  0.92  0.41  0.01  1.0
  O  O6  1  0.0  0.55  0.01  1.0
  O  O7  1  0.92  0.56  0.93  1.0
  O  O8  1  0.0  0.64  0.01  1.0
  O  O9  1  0.92  0.63  0.93  1.0
  O  O10  1  0.0  0.0  0.7  1.0
  O  O11  1  0.92  0.07  0.01  1.0
  O  O12  1  0.92  0.12  0.01  1.0

data_Sr2YTlCu2O7
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.85
_cell_length_c   12.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YTlCu2O7
_chemical_formula_sum   'Sr2 Y1 Tl1 Cu2 O7'
_cell_volume   179.83
_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  1  0.0  0.02  0.33  1.0
  Sr  Sr1  1  0.0  0.02  0.48  1.0
  Y  Y2  1  0.0  0.07  0.9  1.0
  Tl  Tl3  1  0.08  0.74  0.0  1.0
  Cu  Cu4  1  0.08  0.99  0.21  1.0
  Cu  Cu5  1  0.08  0.99  0.59  1.0
  O  O6  1  0.0  0.3  0.0  1.0
  O  O7  1  0.0  0.99  0.36  1.0
  O  O8  1  0.0  0.99  0.45  1.0
  O  O9  1  0.08  0.07  0.37  1.0
  O  O10  1  0.08  0.07  0.44  1.0
  O  O11  1  0.08  0.99  0.88  1.0
  O  O12  1  0.08  0.99  0.93  1.0

Sr Sr Y Tl Cu Cu O O O O O O O