data_[La12Nd4Ag4]
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 [10.8106]
_cell_length_b [7.0804]
_cell_length_c [9.0241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3NdAg]
_chemical_formula_sum '[La12 Nd4 Ag4]'
_cell_volume [656.2645]
_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  8  0.1583  0.2590  0.1294  1.0
  La  La1  4  0.0478  0.5000  0.6915  1.0
  Nd  Nd2  4  0.1808  0.0000  0.4946  1.0
  Ag  Ag3  4  0.0726  0.0000  0.7997  1.0
]