data_[Ba9Li3Mg24]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.4268]
_cell_length_b [6.4268]
_cell_length_c [32.0109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3LiMg8]
_chemical_formula_sum '[Ba9 Li3 Mg24]'
_cell_volume [1145.0408]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0050  1.0
  Ba  Ba1  3  0.0000  0.0000  0.4970  1.0
  Ba  Ba2  3  0.0000  0.0000  0.6237  1.0
  Li  Li3  3  0.0000  0.0000  0.1262  1.0
  Mg  Mg4  9  0.1667  0.3334  0.3977  1.0
  Mg  Mg5  9  0.1685  0.3371  0.8934  1.0
  Mg  Mg6  3  0.0000  0.0000  0.3136  1.0
  Mg  Mg7  3  0.0000  0.0000  0.8112  1.0
]