data_[Mn4Tl8Te12]
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 [15.0994]
_cell_length_b [7.6051]
_cell_length_c [6.9835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnTl2Te3]
_chemical_formula_sum '[Mn4 Tl8 Te12]'
_cell_volume [787.1918]
_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  4  0.0000  0.0960  0.2500  1.0
  Tl  Tl1  8  0.1753  0.3431  0.6479  1.0
  Te  Te2  8  0.1191  0.0867  0.0092  1.0
  Te  Te3  4  0.0000  0.4447  0.2500  1.0
]