data_[Ba2Zr2Si4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.2630]
_cell_length_b [8.9867]
_cell_length_c [4.7729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaZrSi2O7]
_chemical_formula_sum '[Ba2 Zr2 Si4 O14]'
_cell_volume [307.6918]
_cell_formula_units_Z [2]
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  0.0000  0.2808  0.5000  1.0
  Zr  Zr1  2  0.0000  0.6851  0.5000  1.0
  Si  Si2  4  0.2060  0.0078  0.9289  1.0
  O  O3  4  0.1470  0.5093  0.7777  1.0
  O  O4  4  0.1634  0.8498  0.7529  1.0
  O  O5  4  0.2138  0.6323  0.2762  1.0
  O  O6  2  0.0000  0.0752  0.0000  1.0
]