data_[Tm4Mn4Tl4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [Pnma]
_cell_length_a [8.9406]
_cell_length_b [4.6645]
_cell_length_c [17.6049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmMnTlTe3]
_chemical_formula_sum '[Tm4 Mn4 Tl4 Te12]'
_cell_volume [734.1760]
_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
[
  Tm  Tm0  4  0.2495  0.2500  0.5413  1
  Mn  Mn1  4  0.1259  0.7500  0.3541  1
  Tl  Tl2  4  0.0775  0.7500  0.7929  1
  Te  Te3  4  0.0015  0.7500  0.5877  1
  Te  Te4  4  0.1271  0.2500  0.9485  1
  Te  Te5  4  0.1989  0.7500  0.2075  1
]