data_[Ba4Zn8As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.1280]
_cell_length_b [4.2958]
_cell_length_c [10.9964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ba(ZnAs)2]
_chemical_formula_sum '[Ba4 Zn8 As8]'
_cell_volume [478.4258]
_cell_formula_units_Z [4]
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  0.2477  0.2500  0.1745  1.0
  Zn  Zn1  4  0.0490  0.2500  0.8827  1.0
  Zn  Zn2  4  0.0986  0.2500  0.4505  1.0
  As  As3  4  0.0222  0.7500  0.3399  1.0
  As  As4  4  0.1497  0.7500  0.9611  1.0
]