data_[Sr8Mn4Tl4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  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 [3.5150]
_cell_length_b [13.5534]
_cell_length_c [11.2868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2MnTlO5]
_chemical_formula_sum '[Sr8 Mn4 Tl4 O20]'
_cell_volume [537.7093]
_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  0.0886  0.6768  1.0
  Sr  Sr1  4  0.0000  0.1496  0.3085  1.0
  Mn  Mn2  4  0.0000  0.4737  0.4438  1.0
  Tl  Tl3  4  0.0000  0.2134  0.0285  1.0
  O  O4  4  0.0000  0.0484  0.0348  1.0
  O  O5  4  0.0000  0.2703  0.6645  1.0
  O  O6  4  0.0000  0.3300  0.3957  1.0
  O  O7  4  0.0000  0.3837  0.9914  1.0
  O  O8  4  0.0000  0.4869  0.7800  1.0
]