data_[Ba4Ca8Zn4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4978]
_cell_length_b [11.8608]
_cell_length_c [11.8912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaCa2ZnO4]
_chemical_formula_sum '[Ba4 Ca8 Zn4 O16]'
_cell_volume [493.3250]
_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  0.0000  0.1064  0.7500  1.0
  Ca  Ca1  8  0.0000  0.3697  0.5433  1.0
  Zn  Zn2  4  0.0000  0.1632  0.2500  1.0
  O  O3  8  0.0000  0.2611  0.1170  1.0
  O  O4  4  0.0000  0.0000  0.0000  1.0
  O  O5  4  0.0000  0.4264  0.7500  1.0
]