data_[Nd4Tl1Si1Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6578]
_cell_length_b [4.3887]
_cell_length_c [7.8795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4TlSiTe2]
_chemical_formula_sum '[Nd4 Tl1 Si1 Te2]'
_cell_volume [251.1137]
_cell_formula_units_Z [1]
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  2  0.2304  0.5000  0.2295  1.0
  Nd  Nd1  2  0.2397  0.0000  0.7559  1.0
  Tl  Tl2  1  0.5000  0.5000  0.0000  1.0
  Si  Si3  1  0.0000  0.0000  0.0000  1.0
  Te  Te4  1  0.0000  0.5000  0.5000  1.0
  Te  Te5  1  0.5000  0.0000  0.5000  1.0
]