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 [3.8958]
_cell_length_b [4.4413]
_cell_length_c [12.2513]
_cell_angle_alpha [84.6881]
_cell_angle_beta [87.6957]
_cell_angle_gamma [87.6384]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaSrLiNdTlCu2O7]
_chemical_formula_sum '[Ba1 Sr1 Li1 Nd1 Tl1 Cu2 O7]'
_cell_volume [210.7423]
_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  0.5143  0.5863  0.8144  1
  Sr  Sr1  1  0.4537  0.4905  0.2205  1
  Li  Li2  1  0.2564  0.1715  0.4541  1
  Nd  Nd3  1  0.6146  0.6233  0.5239  1
  Tl  Tl4  1  0.9801  0.0758  0.0118  1
  Cu  Cu5  1  0.0363  0.0973  0.6548  1
  Cu  Cu6  1  0.9325  0.9474  0.3267  1
  O  O7  1  0.0709  0.6050  0.6385  1
  O  O8  1  0.4316  0.9134  0.3564  1
  O  O9  1  0.4622  0.3574  0.0192  1
  O  O10  1  0.5320  0.1123  0.5955  1
  O  O11  1  0.9290  0.4060  0.3764  1
  O  O12  1  0.9465  0.8317  0.1691  1
  O  O13  1  0.9896  0.0296  0.8333  1
]