data_[Mn9Nb3Tl9Se24]
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 [R-3m]
_cell_length_a [7.5780]
_cell_length_b [7.5780]
_cell_length_c [23.0022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mn3NbTl3Se8]
_chemical_formula_sum '[Mn9 Nb3 Tl9 Se24]'
_cell_volume [1143.9443]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1
  Nb  Nb1  3  0.0000  0.0000  0.5000  1
  Tl  Tl2  9  0.0000  0.5000  0.0000  1
  Se  Se3  18  0.0015  0.5008  0.7697  1
  Se  Se4  6  0.0000  0.0000  0.2263  1
]