data_[Nd12As8H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [12.9809]
_cell_length_b [5.9172]
_cell_length_c [8.4022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3As2H]
_chemical_formula_sum '[Nd12 As8 H4]'
_cell_volume [610.7993]
_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
[
  Nd  Nd0  8  0.1676  0.0007  0.0840  1
  Nd  Nd1  4  0.0000  0.4733  0.7500  1
  As  As2  8  0.1689  0.4994  0.5844  1
  H  H3  4  0.0000  0.0458  0.7500  1
]