data_[Mn10Tl2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5282]
_cell_length_b [2.8214]
_cell_length_c [5.5842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn5Tl]
_chemical_formula_sum '[Mn10 Tl2]'
_cell_volume [160.4440]
_cell_formula_units_Z [2]
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  0.1870  0.5000  0.3608  1
  Mn  Mn1  4  0.1893  0.5000  0.8371  1
  Mn  Mn2  2  0.0000  0.0000  0.5000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
]