data_[Ba8Li8As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7266]
_cell_length_b [19.5188]
_cell_length_c [7.9526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba2Li2As3]
_chemical_formula_sum '[Ba8 Li8 As12]'
_cell_volume [733.6893]
_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  0.0000  0.0524  0.2500  1
  Ba  Ba1  4  0.0000  0.1511  0.7500  1
  Li  Li2  8  0.0000  0.3059  0.5671  1
  As  As3  8  0.0000  0.4425  0.0570  1
  As  As4  4  0.0000  0.2264  0.2500  1
]