data_[Mn8Tl12Te16]
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 [C2/c]
_cell_length_a [15.0658]
_cell_length_b [11.5842]
_cell_length_c [7.1311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2Tl3Te4]
_chemical_formula_sum '[Mn8 Tl12 Te16]'
_cell_volume [1244.1434]
_cell_formula_units_Z [4]
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  8  0.2074  0.3753  0.0716  1.0
  Tl  Tl1  8  0.1179  0.1306  0.4831  1.0
  Tl  Tl2  4  0.0000  0.3959  0.7500  1.0
  Te  Te3  8  0.1206  0.1757  0.9856  1.0
  Te  Te4  8  0.1637  0.4165  0.4278  1.0
]