data_[Mn4Tl4S4O4]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3291]
_cell_length_b [6.1636]
_cell_length_c [7.1658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnTlSO]
_chemical_formula_sum '[Mn4 Tl4 S4 O4]'
_cell_volume [317.9126]
_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  0.4782  0.1125  0.2159  1
  Tl  Tl1  4  0.1119  0.7267  0.9742  1
  S  S2  4  0.2914  0.1387  0.8618  1
  O  O3  4  0.3572  0.6448  0.7810  1
]