data_[Nd4Zn4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5767]
_cell_length_b [10.8359]
_cell_length_c [4.4624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdZnF4]
_chemical_formula_sum '[Nd4 Zn4 F16]'
_cell_volume [359.4464]
_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  4  0.0000  0.3150  0.0000  1.0
  Zn  Zn1  4  0.1308  0.0000  0.4000  1.0
  F  F2  8  0.2043  0.1395  0.1093  1.0
  F  F3  4  0.0000  0.2607  0.5000  1.0
  F  F4  4  0.1125  0.5000  0.2809  1.0
]