data_[Nd12Sn4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.8418]
_cell_length_b [11.5292]
_cell_length_c [5.3703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3SnH2]
_chemical_formula_sum '[Nd12 Sn4 H8]'
_cell_volume [547.4460]
_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  0.2027  0.3920  0.2500  1.0
  Nd  Nd1  4  0.0000  0.1185  0.2500  1.0
  Sn  Sn2  4  0.0000  0.3149  0.7500  1.0
  H  H3  8  0.1436  0.0000  0.0000  1.0
]