data_[Sr4H2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6582]
_cell_length_b [4.8690]
_cell_length_c [13.1777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr2HF8]
_chemical_formula_sum '[Sr4 H2 F16]'
_cell_volume [298.8816]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.3364  1
  H  H1  2  0.0000  0.5000  0.5000  1
  F  F2  8  0.0000  0.1817  0.1317  1
  F  F3  4  0.0000  0.2648  0.5000  1
  F  F4  4  0.0000  0.5000  0.2655  1
]