data_[Nd6Ge6F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.5715]
_cell_length_b [9.7434]
_cell_length_c [11.2568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NdGeF]
_chemical_formula_sum '[Nd6 Ge6 F6]'
_cell_volume [391.7197]
_cell_formula_units_Z [6]
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  4  0.5000  0.1658  0.2462  1
  Nd  Nd1  2  0.5000  0.0000  0.7128  1
  Ge  Ge2  4  0.5000  0.2233  0.5044  1
  Ge  Ge3  2  0.5000  0.0000  0.0033  1
  F  F4  4  0.0000  0.1587  0.7553  1
  F  F5  2  0.0000  0.0000  0.2724  1
]