data_[La4Si2Ge6]
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 [Imm2]
_cell_length_a [4.2984]
_cell_length_b [4.3589]
_cell_length_c [15.1365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [La2SiGe3]
_chemical_formula_sum '[La4 Si2 Ge6]'
_cell_volume [283.6040]
_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  2  0.0000  0.0000  0.9985  1
  La  La1  2  0.0000  0.5000  0.2519  1
  Si  Si2  2  0.0000  0.0000  0.4169  1
  Ge  Ge3  2  0.0000  0.0000  0.5793  1
  Ge  Ge4  2  0.0000  0.5000  0.6666  1
  Ge  Ge5  2  0.0000  0.5000  0.8368  1
]