data_[La12Nd4Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5676]
_cell_length_b [10.9854]
_cell_length_c [7.2190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3NdAg3]
_chemical_formula_sum '[La12 Nd4 Ag12]'
_cell_volume [838.0481]
_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
[
  La  La0  4  0.0000  0.1828  0.5000  1.0
  La  La1  4  0.0000  0.2809  0.0000  1.0
  La  La2  4  0.1385  0.5000  0.4041  1.0
  Nd  Nd3  4  0.2461  0.0000  0.1275  1.0
  Ag  Ag4  8  0.2404  0.2292  0.7611  1.0
  Ag  Ag5  4  0.0641  0.0000  0.8157  1.0
]