data_[Nd12Te6Au2Se4]
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 [7.5646]
_cell_length_b [13.0836]
_cell_length_c [7.6667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Te3AuSe2]
_chemical_formula_sum '[Nd12 Te6 Au2 Se4]'
_cell_volume [716.6772]
_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  8  0.2426  0.1669  0.2297  1
  Nd  Nd1  4  0.2434  0.5000  0.2299  1
  Te  Te2  4  0.0000  0.1679  0.5000  1
  Te  Te3  2  0.0000  0.5000  0.5000  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
  Se  Se5  4  0.0000  0.3342  0.0000  1
]