data_[Nd4O3F7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.5161]
_cell_length_b [5.8522]
_cell_length_c [5.8669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Nd4O3F7]
_chemical_formula_sum '[Nd4 O3 F7]'
_cell_volume [189.3534]
_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
[
  Nd  Nd0  2  0.2390  0.2039  0.7481  1.0
  Nd  Nd1  2  0.2722  0.7250  0.2489  1.0
  O  O2  1  0.0000  0.9743  0.0000  1.0
  O  O3  1  0.5000  0.0039  0.5000  1.0
  O  O4  1  0.5000  0.9598  0.0000  1.0
  F  F5  2  0.1749  0.3202  0.3468  1.0
  F  F6  2  0.3160  0.6004  0.6462  1.0
  F  F7  1  0.0000  0.5056  0.0000  1.0
  F  F8  1  0.0000  0.9196  0.5000  1.0
  F  F9  1  0.5000  0.4400  0.0000  1.0
]