data_[Sm2Pa4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pa  1.5000  1.8000  1.0400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5210]
_cell_length_b [5.7762]
_cell_length_c [10.8384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm(PaH4)2]
_chemical_formula_sum '[Sm2 Pa4 H16]'
_cell_volume [220.4322]
_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
[
  Sm  Sm0  2  0.0000  0.5000  0.5000  1
  Pa  Pa1  4  0.0000  0.5000  0.1748  1
  H  H2  8  0.0000  0.2452  0.3363  1
  H  H3  4  0.0000  0.0000  0.1716  1
  H  H4  4  0.0000  0.2732  0.0000  1
]