data_[Sr8Zr8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.2940]
_cell_length_b [10.1497]
_cell_length_c [5.6333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrZrO3]
_chemical_formula_sum '[Sr8 Zr8 O24]'
_cell_volume [643.9617]
_cell_formula_units_Z [8]
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
[
  Sr  Sr0  8  0.2170  0.3927  0.2865  1.0
  Zr  Zr1  4  0.0000  0.0849  0.2500  1.0
  Zr  Zr2  4  0.0000  0.2728  0.7500  1.0
  O  O3  8  0.0976  0.0756  0.9375  1.0
  O  O4  8  0.1020  0.2186  0.4561  1.0
  O  O5  8  0.1275  0.3910  0.8812  1.0
]