data_[Pr2Cu2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0147]
_cell_length_b [4.8490]
_cell_length_c [6.2455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrCuH4]
_chemical_formula_sum '[Pr2 Cu2 H8]'
_cell_volume [116.8878]
_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  0.1560  0.2500  0.2711  1.0
  Cu  Cu1  2  0.3454  0.2500  0.8095  1.0
  H  H2  4  0.3044  0.5048  0.6138  1.0
  H  H3  2  0.0581  0.7500  0.1607  1.0
  H  H4  2  0.5000  0.0000  0.0000  1.0
]