data_[Ca3H24Pd12Pt3]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7964]
_cell_length_b [5.7964]
_cell_length_c [14.1813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaH8Pd4Pt]
_chemical_formula_sum '[Ca3 H24 Pd12 Pt3]'
_cell_volume [412.6297]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.3742  1.0
  Pd  Pd1  9  0.0037  0.5018  0.5005  1.0
  H  H2  9  0.0915  0.5457  0.7558  1.0
  H  H3  9  0.1785  0.3571  0.5857  1.0
  H  H4  3  0.0000  0.0000  0.2164  1.0
  Pd  Pd5  3  0.0000  0.0000  0.6256  1.0
  H  H6  3  0.0000  0.0000  0.7597  1.0
  Pt  Pt7  3  0.0000  0.0000  0.9982  1.0
]