data_[Nd12Te2Au4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9546]
_cell_length_b [4.2778]
_cell_length_c [8.7213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6TeAu2Se3]
_chemical_formula_sum '[Nd12 Te2 Au4 Se6]'
_cell_volume [683.0392]
_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  0.0001  0.0000  0.2646  1.0
  Nd  Nd1  4  0.1636  0.5000  0.5899  1.0
  Nd  Nd2  4  0.1719  0.5000  0.0880  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  Au  Au4  4  0.1703  0.0000  0.3404  1.0
  Se  Se5  4  0.1632  0.0000  0.8372  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]