data_[Mn2Tl14Te9]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.5721]
_cell_length_b [9.5721]
_cell_length_c [12.1430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Mn2Tl14Te9]
_chemical_formula_sum '[Mn2 Tl14 Te9]'
_cell_volume [963.5386]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.2799  1
  Tl  Tl1  6  0.0158  0.6698  0.8967  1
  Tl  Tl2  6  0.1044  0.4307  0.6266  1
  Tl  Tl3  2  0.0000  0.0000  0.2796  1
  Te  Te4  6  0.1141  0.3742  0.3650  1
  Te  Te5  2  0.3333  0.6667  0.0544  1
  Te  Te6  1  0.0000  0.0000  0.0000  1
]