data_[Na2Nd1Cu1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9031]
_cell_length_b [5.4678]
_cell_length_c [8.2274]
_cell_angle_alpha [84.4027]
_cell_angle_beta [89.7471]
_cell_angle_gamma [85.9309]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2NdCuF8]
_chemical_formula_sum '[Na2 Nd1 Cu1 F8]'
_cell_volume [174.3064]
_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
[
  Na  Na0  2  0.4929  0.4795  0.7643  1.0
  Nd  Nd1  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0265  0.3223  0.3019  1.0
  F  F4  2  0.0567  0.1473  0.7986  1.0
  F  F5  2  0.3544  0.7770  0.9777  1.0
  F  F6  2  0.4912  0.2170  0.5623  1.0
]