data_[Ba6Mg16Zn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0419]
_cell_length_b [11.1943]
_cell_length_c [14.4476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3Mg8Zn3]
_chemical_formula_sum '[Ba6 Mg16 Zn6]'
_cell_volume [815.4342]
_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  0.0000  0.0000  0.1748  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  Mg  Mg2  8  0.0000  0.2895  0.3946  1
  Mg  Mg3  8  0.0000  0.3457  0.1804  1
  Zn  Zn4  4  0.0000  0.2434  0.0000  1
  Zn  Zn5  2  0.0000  0.5000  0.5000  1
]