data_[Li2Nd4Re2O12]
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
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7785]
_cell_length_b [5.4945]
_cell_length_c [5.6301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiNd2ReO6]
_chemical_formula_sum '[Li2 Nd4 Re2 O12]'
_cell_volume [248.2706]
_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  0.5000  0.5000  1.0
  Nd  Nd1  4  0.2486  0.0000  0.7278  1.0
  Re  Re2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0598  0.2461  0.3043  1.0
  O  O4  4  0.2354  0.0000  0.1317  1.0
]