data_[Li4Nd16Co8]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.0474]
_cell_length_b [10.7702]
_cell_length_c [8.0452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Li(Nd2Co)2]
_chemical_formula_sum '[Li4 Nd16 Co8]'
_cell_volume [684.4024]
_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  0.0965  0.0544  0.5293  1.0
  Nd  Nd1  4  0.0518  0.2209  0.1891  1.0
  Nd  Nd2  4  0.1776  0.3289  0.7300  1.0
  Nd  Nd3  4  0.3832  0.3816  0.2200  1.0
  Nd  Nd4  4  0.4141  0.0098  0.3692  1.0
  Co  Co5  4  0.2376  0.4298  0.4362  1.0
  Co  Co6  4  0.2602  0.1515  0.0262  1.0
]