data_[Nd4Mg2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  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 [5.5746]
_cell_length_b [5.7984]
_cell_length_c [9.6353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2MgMoO6]
_chemical_formula_sum '[Nd4 Mg2 Mo2 O12]'
_cell_volume [256.5294]
_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
[
  Nd  Nd0  4  0.2723  0.5589  0.7527  1.0
  Mg  Mg1  2  0.5000  0.0000  0.0000  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1410  0.5348  0.2468  1.0
  O  O4  4  0.2504  0.2085  0.0559  1.0
  O  O5  4  0.3609  0.7037  0.0567  1.0
]