data_[La12Pr12Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2641]
_cell_length_b [12.1094]
_cell_length_c [16.4364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3Pr3Ag2]
_chemical_formula_sum '[La12 Pr12 Ag8]'
_cell_volume [1047.7364]
_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  0.0000  0.0433  0.6109  1.0
  La  La1  4  0.0000  0.3104  0.7500  1.0
  Pr  Pr2  8  0.0000  0.3585  0.5291  1.0
  Pr  Pr3  4  0.0000  0.4170  0.2500  1.0
  Ag  Ag4  8  0.0000  0.2227  0.1267  1.0
]