data_[Ba1Sr1Li1Nd1Tl1Cu2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  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 [P1]
_cell_length_a [3.9415]
_cell_length_b [3.9750]
_cell_length_c [13.3972]
_cell_angle_alpha [83.0410]
_cell_angle_beta [83.7117]
_cell_angle_gamma [89.3711]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaSrLiNdTlCu2O7]
_chemical_formula_sum '[Ba1 Sr1 Li1 Nd1 Tl1 Cu2 O7]'
_cell_volume [207.1000]
_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
[
  Ba  Ba0  1  0.5243  0.5181  0.2126  1.0
  Sr  Sr1  1  0.6527  0.6191  0.8304  1.0
  Li  Li2  1  0.2401  0.2268  0.6966  1.0
  Nd  Nd3  1  0.4275  0.4095  0.4885  1.0
  Tl  Tl4  1  0.0950  0.0261  0.0100  1.0
  Cu  Cu5  1  0.8705  0.8465  0.6077  1.0
  Cu  Cu6  1  0.9685  0.9561  0.3705  1.0
  O  O7  1  0.0399  0.0514  0.1715  1.0
  O  O8  1  0.1651  0.2071  0.8397  1.0
  O  O9  1  0.3665  0.8398  0.6202  1.0
  O  O10  1  0.4645  0.9494  0.3817  1.0
  O  O11  1  0.6013  0.7056  0.0033  1.0
  O  O12  1  0.8688  0.3440  0.6134  1.0
  O  O13  1  0.9652  0.4528  0.3778  1.0
]