data_[Nd8Mg4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8416]
_cell_length_b [3.6555]
_cell_length_c [10.1939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2MgO4]
_chemical_formula_sum '[Nd8 Mg4 O16]'
_cell_volume [442.7588]
_cell_formula_units_Z [4]
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  0.1082  0.5000  0.9453  1
  Nd  Nd1  4  0.1559  0.0000  0.3207  1
  Mg  Mg2  4  0.1667  0.0000  0.7294  1
  O  O3  4  0.0483  0.0000  0.7784  1
  O  O4  4  0.0829  0.5000  0.1540  1
  O  O5  4  0.2028  0.0000  0.5722  1
  O  O6  4  0.2445  0.5000  0.8519  1
]