data_[Ca2Ga2H4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7814]
_cell_length_b [7.5889]
_cell_length_c [7.5191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CaGaH2F8]
_chemical_formula_sum '[Ca2 Ga2 H4 F16]'
_cell_volume [272.8347]
_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  2  0.0000  0.0000  0.5000  1
  Ga  Ga1  2  0.0000  0.0000  0.0000  1
  H  H2  4  0.0000  0.5000  0.2068  1
  F  F3  8  0.2402  0.5000  0.2103  1
  F  F4  4  0.0000  0.2394  0.0000  1
  F  F5  4  0.0000  0.2952  0.5000  1
]