data_[Nd4Co2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7464]
_cell_length_b [3.8149]
_cell_length_c [5.3606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2CoF8]
_chemical_formula_sum '[Nd4 Co2 F16]'
_cell_volume [281.2649]
_cell_formula_units_Z [2]
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  0.1682  0.0000  0.6624  1
  Co  Co1  2  0.0000  0.5000  0.0000  1
  F  F2  4  0.0337  0.0000  0.2512  1
  F  F3  4  0.0900  0.5000  0.7860  1
  F  F4  4  0.1713  0.5000  0.3847  1
  F  F5  4  0.2239  0.0000  0.1289  1
]