data_[Pr16In4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3318]
_cell_length_b [6.9099]
_cell_length_c [5.9004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4InH]
_chemical_formula_sum '[Pr16 In4 H4]'
_cell_volume [668.0461]
_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
[
  Pr  Pr0  8  0.1132  0.2498  0.6166  1
  Pr  Pr1  4  0.0000  0.2552  0.0000  1
  Pr  Pr2  4  0.2048  0.5000  0.2260  1
  In  In3  4  0.1855  0.0000  0.1790  1
  H  H4  4  0.0865  0.5000  0.8811  1
]