data_[Tm4Tl4Ni4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.8456]
_cell_length_b [4.2671]
_cell_length_c [16.1500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmTlNiTe3]
_chemical_formula_sum '[Tm4 Tl4 Ni4 Te12]'
_cell_volume [678.5037]
_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  0.1607  0.2500  0.5449  1
  Tl  Tl1  4  0.1037  0.7500  0.8171  1
  Ni  Ni2  4  0.1682  0.7500  0.3656  1
  Te  Te3  4  0.0242  0.2500  0.3767  1
  Te  Te4  4  0.1572  0.2500  0.9842  1
  Te  Te5  4  0.1773  0.7500  0.2067  1
]