data_[Pr3Mn3Ni6H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.4946]
_cell_length_b [4.4946]
_cell_length_c [16.3228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [PrMn(NiH4)2]
_chemical_formula_sum '[Pr3 Mn3 Ni6 H24]'
_cell_volume [285.5696]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1
  Mn  Mn1  3  0.0000  0.0000  0.0000  1
  Ni  Ni2  6  0.0000  0.0000  0.2926  1
  H  H3  18  0.0135  0.6408  0.2833  1
  H  H4  6  0.0000  0.0000  0.1940  1
]