data_[Li8Nd12P12]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0548]
_cell_length_b [11.5196]
_cell_length_c [14.2886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2(NdP)3]
_chemical_formula_sum '[Li8 Nd12 P12]'
_cell_volume [667.4160]
_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
[
  Li  Li0  8  0.0000  0.2296  0.0794  1.0
  Nd  Nd1  8  0.0000  0.0681  0.6093  1.0
  Nd  Nd2  4  0.0000  0.3508  0.7500  1.0
  P  P3  8  0.0000  0.3778  0.5510  1.0
  P  P4  4  0.0000  0.3473  0.2500  1.0
]