data_[Sr8Se4Br8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.8747]
_cell_length_b [14.9047]
_cell_length_c [5.6892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Sr2SeBr2F]
_chemical_formula_sum '[Sr8 Se4 Br8 F4]'
_cell_volume [667.7455]
_cell_formula_units_Z [4]
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  8  0.1876  0.3963  0.5000  1
  Se  Se1  4  0.0000  0.0000  0.2500  1
  Br  Br2  8  0.1691  0.3096  0.0000  1
  F  F3  4  0.0000  0.5000  0.2500  1
]