data_[La8Si2Ge2]
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 [Pmmn]
_cell_length_a [5.3132]
_cell_length_b [6.8267]
_cell_length_c [9.3331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [La4SiGe]
_chemical_formula_sum '[La8 Si2 Ge2]'
_cell_volume [338.5287]
_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  4  0.0000  0.2659  0.7794  1
  La  La1  2  0.0000  0.0000  0.4250  1
  La  La2  2  0.0000  0.5000  0.1001  1
  Si  Si3  2  0.0000  0.0000  0.0890  1
  Ge  Ge4  2  0.0000  0.5000  0.4240  1
]