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 [P-1]
_cell_length_a [4.1544]
_cell_length_b [4.7544]
_cell_length_c [7.2461]
_cell_angle_alpha [103.9652]
_cell_angle_beta [92.2813]
_cell_angle_gamma [115.6032]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CaH3Pt]
_chemical_formula_sum '[Ca2 H6 Pt2]'
_cell_volume [123.5435]
_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  2  0.2459  0.0085  0.7572  1.0
  H  H1  2  0.2003  0.9038  0.0656  1.0
  H  H2  2  0.2617  0.4872  0.6815  1.0
  H  H3  2  0.3167  0.0979  0.4338  1.0
  Pt  Pt4  1  0.0000  0.5000  0.0000  1.0
  Pt  Pt5  1  0.5000  0.5000  0.5000  1.0
]