data_[Nd12In16Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.6136]
_cell_length_b [8.6136]
_cell_length_c [12.0705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Nd3In4Ge]
_chemical_formula_sum '[Nd12 In16 Ge4]'
_cell_volume [895.5664]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  8  0.1647  0.3353  0.0000  1.0
  Nd  Nd1  4  0.0000  0.0000  0.2500  1.0
  In  In2  16  0.1406  0.3594  0.3230  1.0
  Ge  Ge3  4  0.0000  0.0000  0.0000  1.0
]