data_[Nd3Sc3Cr6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.4244]
_cell_length_b [5.4244]
_cell_length_c [13.7090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NdScCr2O6]
_chemical_formula_sum '[Nd3 Sc3 Cr6 O18]'
_cell_volume [349.3397]
_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  3  0.0000  0.0000  0.2186  1.0
  Sc  Sc1  3  0.0000  0.0000  0.6942  1.0
  Cr  Cr2  3  0.0000  0.0000  0.4811  1.0
  Cr  Cr3  3  0.0000  0.0000  0.9864  1.0
  O  O4  9  0.0082  0.3799  0.7399  1.0
  O  O5  9  0.0218  0.5944  0.2461  1.0
]