data_[Ca1Cu2H8Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  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 [4.3870]
_cell_length_b [4.8007]
_cell_length_c [5.7208]
_cell_angle_alpha [73.8383]
_cell_angle_beta [86.4254]
_cell_angle_gamma [87.3000]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CaCu2H8Pt]
_chemical_formula_sum '[Ca1 Cu2 H8 Pt1]'
_cell_volume [115.4410]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Cu  Cu1  2  0.4840  0.0213  0.2886  1.0
  H  H2  2  0.1038  0.0872  0.2515  1.0
  H  H3  2  0.2079  0.6938  0.0490  1.0
  H  H4  2  0.2848  0.2066  0.8421  1.0
  H  H5  2  0.4810  0.7261  0.5572  1.0
  Pt  Pt6  1  0.0000  0.0000  0.0000  1.0
]