data_[Ce10Nd2Ge10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3048]
_cell_length_b [5.9777]
_cell_length_c [8.4306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5NdGe5]
_chemical_formula_sum '[Ce10 Nd2 Ge10]'
_cell_volume [636.8446]
_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
[
  Ce  Ce0  4  0.1630  0.5000  0.3338  1
  Ce  Ce1  4  0.1678  0.5000  0.8353  1
  Ce  Ce2  2  0.0000  0.0000  0.5000  1
  Nd  Nd3  2  0.0000  0.0000  0.0000  1
  Ge  Ge4  4  0.1688  0.0000  0.3417  1
  Ge  Ge5  4  0.1704  0.0000  0.8263  1
  Ge  Ge6  2  0.0000  0.5000  0.0000  1
]