data_[Ca2Si8Ni4O24]
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 [C2]
_cell_length_a [9.6679]
_cell_length_b [8.6983]
_cell_length_c [5.3227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaSi4(NiO6)2]
_chemical_formula_sum '[Ca2 Si8 Ni4 O24]'
_cell_volume [429.3471]
_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
[
  Ca  Ca0  2  0.0000  0.3026  0.0000  1
  Si  Si1  4  0.2097  0.5923  0.0163  1
  Si  Si2  4  0.2103  0.4103  0.5253  1
  Ni  Ni3  2  0.0000  0.0867  0.5000  1
  Ni  Ni4  2  0.0000  0.8982  0.0000  1
  O  O5  4  0.1126  0.9209  0.3820  1
  O  O6  4  0.1134  0.0845  0.8976  1
  O  O7  4  0.1361  0.2430  0.4357  1
  O  O8  4  0.1439  0.4823  0.7543  1
  O  O9  4  0.1476  0.7645  0.9580  1
  O  O10  4  0.1513  0.5069  0.2448  1
]