data_[Sr16Nd4Fe10Mo10O60]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nd  1.1400  1.8500  1.2765
  Fe  1.8300  1.4000  0.8525
  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 [5.6971]
_cell_length_b [5.6607]
_cell_length_c [40.3539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr8Nd2Fe5(MoO6)5]
_chemical_formula_sum '[Sr16 Nd4 Fe10 Mo10 O60]'
_cell_volume [1288.8202]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  4  0.0475  0.5075  0.5489  1
  Sr  Sr1  4  0.2397  0.5176  0.7490  1
  Sr  Sr2  4  0.3518  0.0154  0.3507  1
  Sr  Sr3  4  0.4387  0.5125  0.9510  1
  Nd  Nd4  4  0.1606  0.0210  0.1486  1
  Fe  Fe5  4  0.2006  0.0000  0.7001  1
  Fe  Fe6  4  0.3953  0.5007  0.4004  1
  Fe  Fe7  2  0.0000  0.0000  0.5000  1
  Mo  Mo8  4  0.1018  0.5020  0.1000  1
  Mo  Mo9  4  0.2995  0.0016  0.8004  1
  Mo  Mo10  2  0.5000  0.0000  0.0000  1
  O  O11  4  0.0218  0.7351  0.2942  1
  O  O12  4  0.0692  0.2326  0.2937  1
  O  O13  4  0.0907  0.0107  0.6487  1
  O  O14  4  0.1241  0.5020  0.0537  1
  O  O15  4  0.1359  0.7344  0.4055  1
  O  O16  4  0.1663  0.2365  0.4063  1
  O  O17  4  0.2320  0.7391  0.4939  1
  O  O18  4  0.2583  0.0071  0.8500  1
  O  O19  4  0.2686  0.2497  0.9940  1
  O  O20  4  0.3185  0.5056  0.2501  1
  O  O21  4  0.3413  0.7272  0.6094  1
  O  O22  4  0.3683  0.2462  0.6096  1
  O  O23  4  0.4063  0.7280  0.6901  1
  O  O24  4  0.4529  0.2472  0.6905  1
  O  O25  4  0.4901  0.0065  0.0507  1
]