data_[Li2Nd2As2H2]
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
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0300]
_cell_length_b [4.0300]
_cell_length_c [8.3057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [LiNdAsH]
_chemical_formula_sum '[Li2 Nd2 As2 H2]'
_cell_volume [134.8936]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.5000  1.0
  Nd  Nd1  2  0.0000  0.5000  0.8422  1.0
  As  As2  2  0.0000  0.5000  0.2997  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
]