data_[La16Ga2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7236]
_cell_length_b [4.9807]
_cell_length_c [7.7043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8GaGe2]
_chemical_formula_sum '[La16 Ga2 Ge4]'
_cell_volume [674.1065]
_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  0.0127  0.0000  0.7646  1.0
  La  La1  4  0.0896  0.5000  0.4627  1.0
  La  La2  4  0.1638  0.5000  0.9625  1.0
  La  La3  4  0.2075  0.0000  0.3135  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge5  4  0.1772  0.0000  0.7014  1.0
]