data_[Ba4Na5Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [9.4196]
_cell_length_b [4.4276]
_cell_length_c [11.6060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4Na5Zn2]
_chemical_formula_sum '[Ba4 Na5 Zn2]'
_cell_volume [483.1445]
_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  2  0.1636  0.5000  0.8434  1.0
  Ba  Ba1  2  0.2071  0.5000  0.4473  1.0
  Na  Na2  2  0.1894  0.0000  0.1526  1.0
  Na  Na3  2  0.4503  0.0000  0.6804  1.0
  Na  Na4  1  0.5000  0.0000  0.0000  1.0
  Zn  Zn5  2  0.0608  0.0000  0.6310  1.0
]