data_[Sr4Li4Br12]
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 [Ama2]
_cell_length_a [4.6163]
_cell_length_b [22.5763]
_cell_length_c [7.1494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [SrLiBr3]
_chemical_formula_sum '[Sr4 Li4 Br12]'
_cell_volume [745.0931]
_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  0.2500  0.3331  0.7238  1.0
  Li  Li1  4  0.2500  0.1079  0.6483  1.0
  Br  Br2  4  0.2500  0.1163  0.0026  1.0
  Br  Br3  4  0.2500  0.2184  0.4736  1.0
  Br  Br4  4  0.2500  0.4234  0.0308  1.0
]