data_[La12Ni2Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5660]
_cell_length_b [7.8769]
_cell_length_c [12.3091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6NiAg3]
_chemical_formula_sum '[La12 Ni2 Ag6]'
_cell_volume [637.5291]
_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
[
  La  La0  4  0.0842  0.0359  0.2480  1
  La  La1  4  0.2126  0.6791  0.0781  1
  La  La2  4  0.3593  0.1649  0.0625  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  Ag  Ag4  4  0.3292  0.1237  0.7767  1
  Ag  Ag5  2  0.5000  0.0000  0.5000  1
]