data_[Sr8Tl4Fe4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4887]
_cell_length_b [14.0687]
_cell_length_c [10.7774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TlFeO5]
_chemical_formula_sum '[Sr8 Tl4 Fe4 O20]'
_cell_volume [528.9609]
_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  0.1017  0.6866  1.0
  Sr  Sr1  4  0.0000  0.1417  0.3039  1.0
  Tl  Tl2  4  0.0000  0.2140  0.0175  1.0
  Fe  Fe3  4  0.0000  0.4782  0.4538  1.0
  O  O4  4  0.0000  0.0448  0.0309  1.0
  O  O5  4  0.0000  0.2791  0.6618  1.0
  O  O6  4  0.0000  0.3227  0.3854  1.0
  O  O7  4  0.0000  0.3803  0.0003  1.0
  O  O8  4  0.0000  0.4918  0.7838  1.0
]