data_[Nd18Mo6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.9383]
_cell_length_b [9.9383]
_cell_length_c [11.3418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd3MoO6]
_chemical_formula_sum '[Nd18 Mo6 O36]'
_cell_volume [970.1509]
_cell_formula_units_Z [6]
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  0.0406  0.2663  0.7045  1
  Mo  Mo1  3  0.0000  0.0000  0.0000  1
  Mo  Mo2  3  0.0000  0.0000  0.5000  1
  O  O3  18  0.0278  0.1845  0.3814  1
  O  O4  18  0.0290  0.2091  0.9054  1
]