data_[Ba6Zn4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6671]
_cell_length_b [5.1374]
_cell_length_c [8.2332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(ZnSn)2]
_chemical_formula_sum '[Ba6 Zn4 Sn4]'
_cell_volume [498.1183]
_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  0.1754  0.5000  0.6349  1
  Ba  Ba1  2  0.0000  0.5000  0.0000  1
  Zn  Zn2  4  0.1985  0.0000  0.9310  1
  Sn  Sn3  4  0.0234  0.0000  0.3312  1
]