data_[Sr1Ga1H2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P2/m]
_cell_length_a [4.5551]
_cell_length_b [7.8791]
_cell_length_c [4.5953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrGaH2F8]
_chemical_formula_sum '[Sr1 Ga1 H2 F8]'
_cell_volume [147.3360]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1.0
  Ga  Ga1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.5000  0.1932  0.5000  1.0
  F  F3  4  0.2600  0.1979  0.2625  1.0
  F  F4  2  0.2357  0.0000  0.7665  1.0
  F  F5  2  0.3263  0.5000  0.7026  1.0
]