data_[Na3Nd3F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1774]
_cell_length_b [7.1956]
_cell_length_c [7.2050]
_cell_angle_alpha [62.6478]
_cell_angle_beta [64.7319]
_cell_angle_gamma [64.6768]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaNdF4]
_chemical_formula_sum '[Na3 Nd3 F12]'
_cell_volume [246.3152]
_cell_formula_units_Z [3]
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
[
  Na  Na0  1  0.3302  0.4304  0.9047  1.0
  Na  Na1  1  0.6633  0.0005  0.6857  1.0
  Na  Na2  1  0.6655  0.4778  0.1719  1.0
  Nd  Nd3  1  0.0030  0.9985  0.9980  1.0
  Nd  Nd4  1  0.3353  0.9233  0.4076  1.0
  Nd  Nd5  1  0.9975  0.4980  0.5042  1.0
  F  F6  1  0.0398  0.2787  0.3182  1.0
  F  F7  1  0.0485  0.8216  0.7692  1.0
  F  F8  1  0.2554  0.6246  0.1306  1.0
  F  F9  1  0.2783  0.1301  0.6249  1.0
  F  F10  1  0.3620  0.5450  0.5006  1.0
  F  F11  1  0.3655  0.0054  0.0334  1.0
  F  F12  1  0.5928  0.7090  0.6562  1.0
  F  F13  1  0.5968  0.1636  0.1960  1.0
  F  F14  1  0.7544  0.7342  0.2326  1.0
  F  F15  1  0.7550  0.2430  0.7456  1.0
  F  F16  1  0.9760  0.8879  0.3843  1.0
  F  F17  1  0.9805  0.3803  0.8843  1.0
]