data_[Mn4Tl4O12]
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 [P2_1/c]
_cell_length_a [7.9894]
_cell_length_b [5.4454]
_cell_length_c [5.5881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnTlO3]
_chemical_formula_sum '[Mn4 Tl4 O12]'
_cell_volume [243.1063]
_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  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.2456  0.0071  0.5352  1.0
  O  O3  4  0.0633  0.1984  0.3008  1.0
  O  O4  4  0.2338  0.6116  0.4651  1.0
  O  O5  4  0.4498  0.2087  0.7083  1.0
]