data_[Ba4Zn4As8O28]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7458]
_cell_length_b [8.6911]
_cell_length_c [14.7474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaZnAs2O7]
_chemical_formula_sum '[Ba4 Zn4 As8 O28]'
_cell_volume [679.0239]
_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  0.4998  0.6541  0.2851  1
  Zn  Zn1  4  0.2190  0.1492  0.8878  1
  As  As2  4  0.0934  0.5333  0.8421  1
  As  As3  4  0.1591  0.6853  0.4866  1
  O  O4  4  0.0166  0.1542  0.3511  1
  O  O5  4  0.1367  0.1514  0.0156  1
  O  O6  4  0.1747  0.6126  0.9628  1
  O  O7  4  0.1784  0.1205  0.7364  1
  O  O8  4  0.1961  0.5906  0.3907  1
  O  O9  4  0.3397  0.5603  0.8085  1
  O  O10  4  0.4092  0.6644  0.5969  1
]