data_[Ca1H2Au1F8]
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
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7629]
_cell_length_b [5.3092]
_cell_length_c [7.0926]
_cell_angle_alpha [77.6637]
_cell_angle_beta [89.5030]
_cell_angle_gamma [74.6258]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CaH2AuF8]
_chemical_formula_sum '[Ca1 H2 Au1 F8]'
_cell_volume [168.7227]
_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  0.0000  0.5000  1.0
  H  H1  2  0.2723  0.4690  0.3448  1.0
  Au  Au2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.2065  0.8097  0.8044  1.0
  F  F4  2  0.2226  0.7380  0.2829  1.0
  F  F5  2  0.2506  0.2419  0.9703  1.0
  F  F6  2  0.3062  0.2779  0.4256  1.0
]