data_[Sr4Li16Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0858]
_cell_length_b [13.0858]
_cell_length_c [20.0135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrLi4Br6]
_chemical_formula_sum '[Sr4 Li16 Br24]'
_cell_volume [1070.0453]
_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  4  0.0000  0.3390  0.7500  1
  Li  Li1  8  0.0000  0.1376  0.0380  1
  Li  Li2  8  0.0000  0.4020  0.1202  1
  Br  Br3  8  0.0000  0.0501  0.1570  1
  Br  Br4  8  0.0000  0.2242  0.5833  1
  Br  Br5  4  0.0000  0.3339  0.2500  1
  Br  Br6  4  0.0000  0.5000  0.0000  1
]