data_[Ba2La1Tl1Cu2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  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 [3.9458]
_cell_length_b [12.8536]
_cell_length_c [3.9754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ba2LaTlCu2O7]
_chemical_formula_sum '[Ba2 La1 Tl1 Cu2 O7]'
_cell_volume [201.6226]
_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  2  0.5000  0.2040  0.4960  1.0
  La  La1  1  0.5000  0.5000  0.4997  1.0
  Tl  Tl2  1  0.0000  0.0000  0.9303  1.0
  Cu  Cu3  2  0.0000  0.3598  0.9997  1.0
  O  O4  2  0.0000  0.1657  0.0092  1.0
  O  O5  2  0.0000  0.3767  0.4998  1.0
  O  O6  2  0.5000  0.3775  0.9983  1.0
  O  O7  1  0.5000  0.0000  0.6143  1.0
]