data_[Ba4Li2In4As8]
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
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3889]
_cell_length_b [4.5456]
_cell_length_c [6.7492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Li(InAs2)2]
_chemical_formula_sum '[Ba4 Li2 In4 As8]'
_cell_volume [495.6861]
_cell_formula_units_Z [2]
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  0.1373  0.0000  0.6255  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.1240  0.5000  0.1186  1.0
  As  As3  4  0.0002  0.5000  0.7194  1.0
  As  As4  4  0.2115  0.0000  0.1892  1.0
]