data_[Ca8H24Pt8]
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 [C2/c]
_cell_length_a [7.6277]
_cell_length_b [9.6539]
_cell_length_c [6.4225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaH3Pt]
_chemical_formula_sum '[Ca8 H24 Pt8]'
_cell_volume [444.5883]
_cell_formula_units_Z [8]
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  0.0916  0.7500  1
  Ca  Ca1  4  0.0000  0.3388  0.2500  1
  H  H2  8  0.0788  0.1184  0.1290  1
  H  H3  8  0.1750  0.2490  0.6175  1
  H  H4  8  0.1875  0.4885  0.0005  1
  Pt  Pt5  8  0.1876  0.3735  0.8056  1
]