data_[Nd24Te12C3Se9]
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
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5681]
_cell_length_b [8.5681]
_cell_length_c [21.6023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd8Te4CSe3]
_chemical_formula_sum '[Nd24 Te12 C3 Se9]'
_cell_volume [1373.4179]
_cell_formula_units_Z [3]
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  18  0.0341  0.5171  0.7357  1.0
  Nd  Nd1  6  0.0000  0.0000  0.2586  1.0
  Te  Te2  9  0.0000  0.5000  0.5000  1.0
  Te  Te3  3  -0.0000  -0.0000  0.5000  1.0
  Se  Se4  9  0.0000  0.5000  0.0000  1.0
  C  C5  3  0.0000  0.0000  0.0000  1.0
]