data_[Nd4Mo20O32]
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 [P2_1/c]
_cell_length_a [7.5831]
_cell_length_b [9.0831]
_cell_length_c [9.9138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NdMo5O8]
_chemical_formula_sum '[Nd4 Mo20 O32]'
_cell_volume [643.6239]
_cell_formula_units_Z [4]
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  4  0.2647  0.5030  0.0353  1
  Mo  Mo1  4  0.0026  0.1229  0.9142  1
  Mo  Mo2  4  0.1715  0.6282  0.3828  1
  Mo  Mo3  4  0.1926  0.1299  0.2010  1
  Mo  Mo4  4  0.3841  0.6182  0.6759  1
  Mo  Mo5  4  0.3960  0.1151  0.0130  1
  O  O6  4  0.0012  0.2189  0.5662  1
  O  O7  4  0.0162  0.5030  0.7708  1
  O  O8  4  0.2008  0.7394  0.2083  1
  O  O9  4  0.2054  0.2401  0.3865  1
  O  O10  4  0.3801  0.5072  0.3243  1
  O  O11  4  0.3906  0.7436  0.0120  1
  O  O12  4  0.3934  0.2335  0.6697  1
  O  O13  4  0.3997  0.0055  0.3505  1
]