data_[Ca4H16Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7296]
_cell_length_b [12.5327]
_cell_length_c [5.0757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaH4Pd]
_chemical_formula_sum '[Ca4 H16 Pd4]'
_cell_volume [237.2493]
_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
[
  Ca  Ca0  4  0.0000  0.1398  0.2500  1.0
  H  H1  8  0.0000  0.3095  0.5012  1.0
  H  H2  4  0.0000  0.0928  0.7500  1.0
  Pd  Pd3  4  0.0000  0.4025  0.2500  1.0
  H  H4  4  0.0000  0.5000  0.0000  1.0
]