data_[Li3Nd3Si2Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2501]
_cell_length_b [7.2501]
_cell_length_c [4.3435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Li3Nd3Si2Ge]
_chemical_formula_sum '[Li3 Nd3 Si2 Ge1]'
_cell_volume [197.7240]
_cell_formula_units_Z [1]
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
[
  Li  Li0  3  0.0000  0.7676  0.5000  1
  Nd  Nd1  3  0.0000  0.4210  0.0000  1
  Si  Si2  2  0.3333  0.6667  0.5000  1
  Ge  Ge3  1  0.0000  0.0000  0.0000  1
]