data_[Mn4Nb2Tl4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3311]
_cell_length_b [3.7653]
_cell_length_c [8.1256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Nb(TlSe2)2]
_chemical_formula_sum '[Mn4 Nb2 Tl4 Se8]'
_cell_volume [421.7866]
_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  0.1661  0.5000  0.9646  1
  Nb  Nb1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.1400  0.0000  0.5739  1
  Se  Se3  4  0.0073  0.5000  0.7639  1
  Se  Se4  4  0.1909  0.0000  0.1748  1
]