data_[Mn2Tl4]
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 [P1]
_cell_length_a [5.1292]
_cell_length_b [17.6117]
_cell_length_c [17.6117]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnTl2]
_chemical_formula_sum '[Mn2 Tl4]'
_cell_volume [1377.8035]
_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  1  0.1922  0.9262  0.4742  1
  Mn  Mn1  1  0.9740  0.0793  0.5271  1
  Tl  Tl2  1  0.2042  0.9891  0.3473  1
  Tl  Tl3  1  0.4764  0.0908  0.5933  1
  Tl  Tl4  1  0.6925  0.9039  0.4047  1
  Tl  Tl5  1  0.9607  0.0107  0.6533  1
]