data_[Nd4O3F4]
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 [Pmm2]
_cell_length_a [3.6821]
_cell_length_b [7.4321]
_cell_length_c [6.1359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4O3F4]
_chemical_formula_sum '[Nd4 O3 F4]'
_cell_volume [167.9149]
_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  0.0000  0.2481  0.7826  1
  Nd  Nd1  1  0.5000  0.0000  0.2230  1
  Nd  Nd2  1  0.5000  0.5000  0.2134  1
  O  O3  2  0.5000  0.2361  0.0000  1
  O  O4  1  0.0000  0.5000  0.9948  1
  F  F5  2  0.0000  0.2694  0.3831  1
  F  F6  1  0.5000  0.0000  0.6219  1
  F  F7  1  0.5000  0.5000  0.6154  1
]