data_[Li4Nd8P8]
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 [Cmc2_1]
_cell_length_a [4.1049]
_cell_length_b [15.3399]
_cell_length_c [7.2880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li(NdP)2]
_chemical_formula_sum '[Li4 Nd8 P8]'
_cell_volume [458.9183]
_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  4  0.0000  0.4022  0.0833  1.0
  Nd  Nd1  4  0.0000  0.0351  0.2346  1.0
  Nd  Nd2  4  0.0000  0.2082  0.8795  1.0
  P  P3  4  0.0000  0.1695  0.4980  1.0
  P  P4  4  0.0000  0.4340  0.4389  1.0
]