data_[Sr4Zr4Si8O28]
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
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8579]
_cell_length_b [8.2048]
_cell_length_c [10.1937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrZrSi2O7]
_chemical_formula_sum '[Sr4 Zr4 Si8 O28]'
_cell_volume [610.2853]
_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
[
  Sr  Sr0  4  0.2831  0.0173  0.7929  1
  Zr  Zr1  4  0.2562  0.0111  0.2470  1
  Si  Si2  4  0.0643  0.2490  0.4575  1
  Si  Si3  4  0.3255  0.7150  0.0411  1
  O  O4  4  0.0122  0.0793  0.8689  1
  O  O5  4  0.1329  0.6568  0.0628  1
  O  O6  4  0.1710  0.1345  0.3831  1
  O  O7  4  0.1884  0.2287  0.1244  1
  O  O8  4  0.3047  0.7054  0.8761  1
  O  O9  4  0.3702  0.5948  0.5958  1
  O  O10  4  0.4748  0.5927  0.1507  1
]