data_[Mn8Tl4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [8.8089]
_cell_length_b [8.9633]
_cell_length_c [6.3826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2TlO4]
_chemical_formula_sum '[Mn8 Tl4 O16]'
_cell_volume [370.2003]
_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
[
  Mn  Mn0  4  0.0000  0.5000  0.0000  1.0
  Mn  Mn1  4  0.2500  0.2500  0.5000  1.0
  Tl  Tl2  4  0.0000  0.1134  0.7500  1.0
  O  O3  8  0.0186  0.2572  0.4880  1.0
  O  O4  8  0.2215  0.4711  0.4607  1.0
]