data_[Li2Nd1Cu1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [3.9576]
_cell_length_b [5.2540]
_cell_length_c [7.7677]
_cell_angle_alpha [94.7182]
_cell_angle_beta [98.0249]
_cell_angle_gamma [90.8065]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2NdCuF8]
_chemical_formula_sum '[Li2 Nd1 Cu1 F8]'
_cell_volume [159.3382]
_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
[
  Li  Li0  2  0.4283  0.4320  0.3060  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  0.0068  0.1685  0.8092  1.0
  F  F4  2  0.0679  0.6574  0.6731  1.0
  F  F5  2  0.3683  0.1830  0.1023  1.0
  F  F6  2  0.4926  0.7549  0.4470  1.0
]