data_[Ca2H6Pt2]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1943]
_cell_length_b [4.7776]
_cell_length_c [6.2381]
_cell_angle_alpha [103.4072]
_cell_angle_beta [92.1911]
_cell_angle_gamma [92.7337]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CaH3Pt]
_chemical_formula_sum '[Ca2 H6 Pt2]'
_cell_volume [121.3045]
_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
[
  Ca  Ca0  1  0.4735  0.2989  0.0575  1.0
  Ca  Ca1  1  0.9614  0.6911  0.6149  1.0
  H  H2  1  0.1778  0.2976  0.7218  1.0
  H  H3  1  0.4399  0.4537  0.4380  1.0
  H  H4  1  0.4827  0.9118  0.6814  1.0
  H  H5  1  0.7333  0.0314  0.3634  1.0
  H  H6  1  0.9580  0.0491  0.9721  1.0
  H  H7  1  0.9933  0.5217  0.2323  1.0
  Pt  Pt8  1  0.4572  0.1722  0.5475  1.0
  Pt  Pt9  1  0.9685  0.8023  0.1200  1.0
]