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 [Cmcm]
_cell_length_a [4.0998]
_cell_length_b [16.0529]
_cell_length_c [10.8544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TmTlNiTe3]
_chemical_formula_sum '[Tm4 Tl4 Ni4 Te12]'
_cell_volume [714.3725]
_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  0.0000  0.5000  0.0000  1
  Tl  Tl1  4  0.0000  0.2492  0.7500  1
  Ni  Ni2  4  0.0000  0.0217  0.2500  1
  Te  Te3  8  0.0000  0.1290  0.0756  1
  Te  Te4  4  0.0000  0.4240  0.2500  1
]