data_[Na4Nd4Fe4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3577]
_cell_length_b [14.5785]
_cell_length_c [11.7603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaNdFeTe3]
_chemical_formula_sum '[Na4 Nd4 Fe4 Te12]'
_cell_volume [747.1150]
_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
[
  Na  Na0  4  0.0000  0.2579  0.2500  1
  Nd  Nd1  4  0.0000  0.5000  0.0000  1
  Fe  Fe2  4  0.0000  0.0291  0.7500  1
  Te  Te3  8  0.0000  0.1429  0.5772  1
  Te  Te4  4  0.0000  0.4179  0.7500  1
]