data_[Ca8Si16Ni8O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [5.5065]
_cell_length_b [19.0063]
_cell_length_c [9.7192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [CaSi2NiO6]
_chemical_formula_sum '[Ca8 Si16 Ni8 O48]'
_cell_volume [1017.1845]
_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
[
  Ca  Ca0  8  0.0919  0.1223  0.8576  1
  Si  Si1  8  0.0752  0.7247  0.3337  1
  Si  Si2  8  0.2241  0.5239  0.1657  1
  Ni  Ni3  8  0.0936  0.1287  0.5069  1
  O  O4  8  0.0051  0.0447  0.2306  1
  O  O5  8  0.0651  0.6892  0.8445  1
  O  O6  8  0.1105  0.6847  0.4800  1
  O  O7  8  0.1798  0.2004  0.2440  1
  O  O8  8  0.1877  0.5683  0.0254  1
  O  O9  8  0.2308  0.0623  0.6509  1
]