data_[Sr8Nd4Tl4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5922]
_cell_length_b [14.6249]
_cell_length_c [12.0459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2NdTlO5]
_chemical_formula_sum '[Sr8 Nd4 Tl4 O20]'
_cell_volume [632.8476]
_cell_formula_units_Z [4]
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  4  0.0000  0.1278  0.2373  1.0
  Sr  Sr1  4  0.0000  0.1299  0.7230  1.0
  Nd  Nd2  4  0.0000  0.2385  0.9951  1.0
  Tl  Tl3  4  0.0000  0.4975  0.4730  1.0
  O  O4  4  0.0000  0.0750  0.0309  1.0
  O  O5  4  0.0000  0.2674  0.3625  1.0
  O  O6  4  0.0000  0.2831  0.6304  1.0
  O  O7  4  0.0000  0.3822  0.0773  1.0
  O  O8  4  0.0000  0.4907  0.7945  1.0
]