data_[La1Ag6Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3902]
_cell_length_b [4.3902]
_cell_length_c [9.3009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La(Ag3Ge)2]
_chemical_formula_sum '[La1 Ag6 Ge2]'
_cell_volume [179.2632]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.0000  0.5000  0.2936  1
  Ag  Ag2  1  0.0000  0.0000  0.5000  1
  Ag  Ag3  1  0.5000  0.5000  0.5000  1
  Ge  Ge4  2  0.5000  0.5000  0.1330  1
]