data_[Ba4Li3In1]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.9513]
_cell_length_b [5.4486]
_cell_length_c [12.8510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ba4Li3In]
_chemical_formula_sum '[Ba4 Li3 In1]'
_cell_volume [346.6886]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1397  1.0
  Ba  Ba1  1  0.0000  0.5000  0.8636  1.0
  Ba  Ba2  1  0.5000  0.0000  0.6459  1.0
  Ba  Ba3  1  0.5000  0.5000  0.3443  1.0
  Li  Li4  1  0.0000  0.0000  0.4379  1.0
  Li  Li5  1  0.0000  0.5000  0.5593  1.0
  Li  Li6  1  0.5000  0.0000  0.9482  1.0
  In  In7  1  0.5000  0.5000  0.0611  1.0
]