data_[La12Si4Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.2661]
_cell_length_b [7.2661]
_cell_length_c [12.7366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [La6Si2Ge]
_chemical_formula_sum '[La12 Si4 Ge2]'
_cell_volume [672.4401]
_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  8  0.2085  0.7915  0.1687  1
  La  La1  4  0.2055  0.7945  0.5000  1
  Si  Si2  4  0.0000  0.0000  0.3336  1
  Ge  Ge3  2  0.0000  0.0000  0.0000  1
]