data_[La6Cd8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [27.8573]
_cell_length_b [4.4897]
_cell_length_c [4.3991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(CdGe)4]
_chemical_formula_sum '[La6 Cd8 Ge8]'
_cell_volume [543.4989]
_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  0.1452  0.5000  0.1298  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0909  0.0000  0.5227  1.0
  Cd  Cd3  4  0.2500  0.5000  0.7459  1.0
  Ge  Ge4  4  0.0448  0.5000  0.6297  1.0
  Ge  Ge5  4  0.1863  0.0000  0.6881  1.0
]