data_[Nd1Fe2Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P1]
_cell_length_a [5.4545]
_cell_length_b [5.4978]
_cell_length_c [5.7682]
_cell_angle_alpha [61.6432]
_cell_angle_beta [88.7551]
_cell_angle_gamma [61.0097]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NdFe2MoO6]
_chemical_formula_sum '[Nd1 Fe2 Mo1 O6]'
_cell_volume [128.1725]
_cell_formula_units_Z [1]
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  1  0.1916  0.6072  0.5912  1
  Fe  Fe1  1  0.4771  0.0335  0.4301  1
  Fe  Fe2  1  0.9790  0.0410  0.9493  1
  Mo  Mo3  1  0.6815  0.6288  0.0457  1
  O  O4  1  0.0577  0.1917  0.2277  1
  O  O5  1  0.2931  0.0890  0.7592  1
  O  O6  1  0.4239  0.5277  0.2334  1
  O  O7  1  0.6214  0.5233  0.7668  1
  O  O8  1  0.7680  0.8235  0.2435  1
  O  O9  1  0.8450  0.8576  0.7684  1
]