data_[Ca4H16Pt4]
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/m]
_cell_length_a [11.0063]
_cell_length_b [3.8602]
_cell_length_c [6.7503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaH4Pt]
_chemical_formula_sum '[Ca4 H16 Pt4]'
_cell_volume [278.4714]
_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  4  0.1810  0.0000  0.2026  1
  H  H1  4  0.0456  0.0000  0.8982  1
  H  H2  4  0.0591  0.0000  0.4213  1
  H  H3  4  0.0999  0.5000  0.6979  1
  H  H4  4  0.2446  0.0000  0.6353  1
  Pt  Pt5  4  0.1045  0.0000  0.6945  1
]