data_[Ca4H12Pt4]
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 [I-4m2]
_cell_length_a [3.9318]
_cell_length_b [3.9318]
_cell_length_c [15.2222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [CaH3Pt]
_chemical_formula_sum '[Ca4 H12 Pt4]'
_cell_volume [235.3177]
_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  2  0.0000  0.0000  0.0000  1
  Ca  Ca1  2  0.0000  0.5000  0.2500  1
  H  H2  8  0.0000  0.3996  0.1002  1
  H  H3  4  0.0000  0.0000  0.3446  1
  Pt  Pt4  4  0.0000  0.5000  0.6550  1
]