data_[Nd3Tm3Tl3Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2393]
_cell_length_b [4.2393]
_cell_length_c [23.6201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NdTmTlTe]
_chemical_formula_sum '[Nd3 Tm3 Tl3 Te3]'
_cell_volume [367.6287]
_cell_formula_units_Z [3]
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
[
  Nd  Nd0  3  0.0000  0.0000  0.4991  1.0
  Tm  Tm1  3  0.0000  0.0000  0.0013  1.0
  Tl  Tl2  3  0.0000  0.0000  0.2540  1.0
  Te  Te3  3  0.0000  0.0000  0.7456  1.0
]