data_[Ca4H10Pt2]
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 [I4mm]
_cell_length_a [5.0542]
_cell_length_b [5.0542]
_cell_length_c [7.5132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ca2H5Pt]
_chemical_formula_sum '[Ca4 H10 Pt2]'
_cell_volume [191.9245]
_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  4  0.0000  0.5000  0.2482  1.0
  H  H1  8  0.2393  0.2393  0.0080  1.0
  H  H2  2  0.0000  0.0000  0.7536  1.0
  Pt  Pt3  2  0.0000  0.0000  0.9952  1.0
]