data_[Sr4Cu2Si4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [8.0989]
_cell_length_b [8.0989]
_cell_length_c [5.0332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [113]
_chemical_formula_structural [Sr2CuSi2O7]
_chemical_formula_sum '[Sr4 Cu2 Si4 O14]'
_cell_volume [330.1375]
_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
[
  Sr  Sr0  4  0.1659  0.6659  0.5075  1
  Si  Si1  4  0.1371  0.3629  0.0366  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.0814  0.1917  0.1830  1
  O  O4  4  0.1355  0.3645  0.7171  1
  O  O5  2  0.0000  0.5000  0.1534  1
]