data_[Li2Nd4Mn2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3836]
_cell_length_b [5.7582]
_cell_length_c [9.3054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiNd2MnO6]
_chemical_formula_sum '[Li2 Nd4 Mn2 O12]'
_cell_volume [237.4907]
_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
[
  Li  Li0  2  0.5000  0.0000  0.0000  1.0
  Nd  Nd1  4  0.2685  0.5711  0.7513  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1577  0.5232  0.2427  1.0
  O  O4  4  0.2281  0.2167  0.0461  1.0
  O  O5  4  0.3333  0.6863  0.0420  1.0
]