data_[La4Nd16Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4353]
_cell_length_b [14.7112]
_cell_length_c [22.8711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La(Nd2Te3)2]
_chemical_formula_sum '[La4 Nd16 Te24]'
_cell_volume [1492.3061]
_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
[
  La  La0  4  0.0000  0.3426  0.7500  1
  Nd  Nd1  8  0.0000  0.1435  0.0367  1
  Nd  Nd2  8  0.0000  0.4123  0.1256  1
  Te  Te3  8  0.0000  0.0541  0.1662  1
  Te  Te4  8  0.0000  0.2328  0.5939  1
  Te  Te5  4  0.0000  0.3165  0.2500  1
  Te  Te6  4  0.0000  0.5000  0.0000  1
]