data_[Li2Nd1Co1H8]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3343]
_cell_length_b [4.3343]
_cell_length_c [5.9709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2NdCoH8]
_chemical_formula_sum '[Li2 Nd1 Co1 H8]'
_cell_volume [97.1443]
_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  0.3333  0.6667  0.8906  1
  Nd  Nd1  1  0.0000  0.0000  0.5000  1
  Co  Co2  1  0.0000  0.0000  0.0000  1
  H  H3  6  0.1645  0.3289  0.1512  1
  H  H4  2  0.3333  0.6667  0.5491  1
]