data_[Nd12Si4Te2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  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 [18.7282]
_cell_length_b [4.2906]
_cell_length_c [8.6731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Si2TeSe3]
_chemical_formula_sum '[Nd12 Si4 Te2 Se6]'
_cell_volume [679.7346]
_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
[
  Nd  Nd0  4  0.0074  0.0000  0.2691  1
  Nd  Nd1  4  0.1697  0.5000  0.5783  1
  Nd  Nd2  4  0.1728  0.5000  0.1034  1
  Si  Si3  4  0.1674  0.0000  0.3355  1
  Te  Te4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.1631  0.0000  0.8363  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]