data_[Nd8Se8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3256]
_cell_length_b [7.6892]
_cell_length_c [7.2167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2Se2F]
_chemical_formula_sum '[Nd8 Se8 F4]'
_cell_volume [461.8726]
_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  0.1294  0.0762  0.7743  1
  Nd  Nd1  4  0.3845  0.6251  0.7285  1
  Se  Se2  4  0.1096  0.7290  0.9960  1
  Se  Se3  4  0.3521  0.1791  0.4729  1
  F  F4  4  0.3927  0.5700  0.3517  1
]