data_[Nd8Mo8Cl8O32]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.0345]
_cell_length_b [20.1765]
_cell_length_c [7.5533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [NdMoClO4]
_chemical_formula_sum '[Nd8 Mo8 Cl8 O32]'
_cell_volume [1072.0517]
_cell_formula_units_Z [8]
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  0.0272  0.1111  0.0000  1
  Nd  Nd1  4  0.2305  0.8598  0.5000  1
  Mo  Mo2  4  0.0825  0.3179  0.0000  1
  Mo  Mo3  4  0.2118  0.0678  0.5000  1
  Cl  Cl4  4  0.0348  0.2448  0.5000  1
  Cl  Cl5  4  0.2414  0.9916  0.0000  1
  O  O6  8  0.0711  0.0975  0.3145  1
  O  O7  8  0.2295  0.3440  0.1854  1
  O  O8  4  0.0418  0.2310  0.0000  1
  O  O9  4  0.0552  0.6011  0.5000  1
  O  O10  4  0.1410  0.6420  0.0000  1
  O  O11  4  0.2235  0.9798  0.5000  1
]