data_[La12In2Ag6]
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 [9.7372]
_cell_length_b [5.3026]
_cell_length_c [12.1885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La6InAg3]
_chemical_formula_sum '[La12 In2 Ag6]'
_cell_volume [611.1927]
_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  0.1169  0.7500  0.1603  1
  La  La1  2  0.1308  0.7500  0.8979  1
  La  La2  2  0.1440  0.2500  0.6529  1
  La  La3  2  0.2789  0.7500  0.4952  1
  La  La4  2  0.3555  0.2500  0.2917  1
  La  La5  2  0.4819  0.2500  0.9008  1
  In  In6  2  0.0565  0.2500  0.3683  1
  Ag  Ag7  2  0.2240  0.2500  0.0312  1
  Ag  Ag8  2  0.3532  0.7500  0.7601  1
  Ag  Ag9  2  0.4639  0.2500  0.6316  1
]