data_[La8Ag4Ge8]
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 [C2/m]
_cell_length_a [11.3375]
_cell_length_b [4.5700]
_cell_length_c [10.9513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2AgGe2]
_chemical_formula_sum '[La8 Ag4 Ge8]'
_cell_volume [500.4438]
_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  4  0.0075  0.0000  0.3262  1.0
  La  La1  4  0.1871  0.0000  0.1023  1.0
  Ag  Ag2  4  0.2241  0.5000  0.3575  1.0
  Ge  Ge3  4  0.0178  0.5000  0.8875  1.0
  Ge  Ge4  4  0.1314  0.5000  0.5690  1.0
]