data_[Nd1Cd2Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7005]
_cell_length_b [5.7315]
_cell_length_c [5.9744]
_cell_angle_alpha [61.3796]
_cell_angle_beta [62.5382]
_cell_angle_gamma [60.6544]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NdCd2MoO6]
_chemical_formula_sum '[Nd1 Cd2 Mo1 O6]'
_cell_volume [142.6730]
_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  0.8189  0.8075  0.5708  1.0
  Cd  Cd1  1  0.0418  0.0250  0.8964  1.0
  Cd  Cd2  1  0.5380  0.5431  0.3940  1.0
  Mo  Mo3  1  0.3207  0.3203  0.0485  1.0
  O  O4  1  0.1287  0.4119  0.7876  1.0
  O  O5  1  0.2036  0.9696  0.2548  1.0
  O  O6  1  0.4218  0.6734  0.7786  1.0
  O  O7  1  0.5472  0.2170  0.2568  1.0
  O  O8  1  0.6733  0.1178  0.7862  1.0
  O  O9  1  0.9676  0.5760  0.2417  1.0
]