data_[Li4As4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.7743]
_cell_length_b [17.3219]
_cell_length_c [6.7988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiAsBr4]
_chemical_formula_sum '[Li4 As4 Br16]'
_cell_volume [752.9110]
_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
[
  Li  Li0  4  0.0000  0.0648  0.7500  1.0
  As  As1  4  0.0000  0.4263  0.2500  1.0
  Br  Br2  8  0.2317  0.3314  0.2414  1.0
  Br  Br3  8  0.2466  0.0516  0.2680  1.0
]