data_[Nd3Cr6Mo3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.4597]
_cell_length_b [5.4597]
_cell_length_c [13.9441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NdCr2MoO6]
_chemical_formula_sum '[Nd3 Cr6 Mo3 O18]'
_cell_volume [359.9627]
_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  0.2146  1.0
  Cr  Cr1  3  0.0000  0.0000  0.4791  1.0
  Cr  Cr2  3  0.0000  0.0000  0.9879  1.0
  Mo  Mo3  3  0.0000  0.0000  0.6868  1.0
  O  O4  9  0.0103  0.3857  0.7428  1.0
  O  O5  9  0.0186  0.5960  0.2470  1.0
]