data_[Nd4Sm8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.6309]
_cell_length_b [10.4702]
_cell_length_c [11.6497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [NdSm2F11]
_chemical_formula_sum '[Nd4 Sm8 F44]'
_cell_volume [1052.7623]
_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  0.5000  0.2500  1
  Sm  Sm1  8  0.1599  0.1896  0.5000  1
  F  F2  16  0.1039  0.3278  0.3572  1
  F  F3  16  0.2049  0.4238  0.1316  1
  F  F4  8  0.1084  0.1915  0.0000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]