data_[Ba4Li4Al4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5163]
_cell_length_b [4.2382]
_cell_length_c [10.2456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLiAlAs2]
_chemical_formula_sum '[Ba4 Li4 Al4 As8]'
_cell_volume [495.4325]
_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
[
  Ba  Ba0  4  0.1810  0.0000  0.6470  1
  Li  Li1  4  0.1472  0.5000  0.9307  1
  Al  Al2  4  0.0325  0.0000  0.1759  1
  As  As3  4  0.0542  0.5000  0.3361  1
  As  As4  4  0.1632  0.0000  0.0756  1
]