data_[Li2Nd4Cr2O12]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4268]
_cell_length_b [5.7320]
_cell_length_c [9.2505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiNd2CrO6]
_chemical_formula_sum '[Li2 Nd4 Cr2 O12]'
_cell_volume [234.5268]
_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  0.0000  0.0000  0.5000  1.0
  Nd  Nd1  4  0.2324  0.0658  0.2491  1.0
  Cr  Cr2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1720  0.1872  0.9558  1.0
  O  O4  4  0.2649  0.7188  0.9512  1.0
  O  O5  4  0.3491  0.0226  0.7644  1.0
]