data_[La12In6Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7712]
_cell_length_b [5.4931]
_cell_length_c [12.1406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La6In3Ag]
_chemical_formula_sum '[La12 In6 Ag2]'
_cell_volume [622.1231]
_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  2  0.0836  0.7500  0.8749  1
  La  La1  2  0.1280  0.7500  0.1444  1
  La  La2  2  0.1542  0.2500  0.6913  1
  La  La3  2  0.2463  0.7500  0.4964  1
  La  La4  2  0.3361  0.2500  0.3246  1
  La  La5  2  0.4593  0.7500  0.0844  1
  In  In6  2  0.2314  0.2500  0.0230  1
  In  In7  2  0.3759  0.7500  0.7805  1
  In  In8  2  0.4643  0.2500  0.6209  1
  Ag  Ag9  2  0.0392  0.2500  0.4056  1
]