data_[Na6Nd2Te4Se12]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2948]
_cell_length_b [13.3482]
_cell_length_c [7.2564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Nd(TeSe3)2]
_chemical_formula_sum '[Na6 Nd2 Te4 Se12]'
_cell_volume [665.5601]
_cell_formula_units_Z [2]
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  0.1758  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.3392  0.0000  1
  Se  Se4  8  0.2431  0.3358  0.7728  1
  Se  Se5  4  0.2441  0.5000  0.2403  1
]