data_[Ti4Mn4Tl4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [Cmcm]
_cell_length_a [3.9676]
_cell_length_b [15.9482]
_cell_length_c [10.6399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TiMnTlTe3]
_chemical_formula_sum '[Ti4 Mn4 Tl4 Te12]'
_cell_volume [673.2478]
_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
[
  Ti  Ti0  4  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.0000  0.4615  0.7500  1.0
  Tl  Tl2  4  0.0000  0.2385  0.2500  1.0
  Te  Te3  8  0.0000  0.3741  0.5406  1.0
  Te  Te4  4  0.0000  0.0723  0.7500  1.0
]