data_[La12Al4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0557]
_cell_length_b [4.2261]
_cell_length_c [8.8335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3AlGe]
_chemical_formula_sum '[La12 Al4 Ge4]'
_cell_volume [597.5816]
_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  0.0458  0.5000  0.6660  1.0
  La  La1  4  0.0911  0.0000  0.0776  1.0
  La  La2  4  0.2369  0.5000  0.3236  1.0
  Al  Al3  4  0.2119  0.5000  0.9331  1.0
  Ge  Ge4  4  0.1059  0.0000  0.4294  1.0
]