data_[Pr2Ni2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9275]
_cell_length_b [4.8180]
_cell_length_c [6.2164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrNiH4]
_chemical_formula_sum '[Pr2 Ni2 H8]'
_cell_volume [111.9806]
_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
[
  Pr  Pr0  2  0.1331  0.2500  0.2641  1.0
  Ni  Ni1  2  0.3748  0.2500  0.8130  1.0
  H  H2  4  0.3131  0.0066  0.6223  1.0
  H  H3  2  0.0517  0.7500  0.1669  1.0
  H  H4  2  0.5000  0.0000  0.0000  1.0
]