data_[Ca2V8Ni4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.1994]
_cell_length_b [9.2483]
_cell_length_c [5.6444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaV4(NiO6)2]
_chemical_formula_sum '[Ca2 V8 Ni4 O24]'
_cell_volume [506.6660]
_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  0.6996  0.5000  1.0
  V  V1  4  0.2071  0.5946  0.0194  1.0
  V  V2  4  0.2100  0.3945  0.5122  1.0
  Ni  Ni3  2  0.0000  0.0819  0.5000  1.0
  Ni  Ni4  2  0.0000  0.9183  0.0000  1.0
  O  O5  4  0.1044  0.9077  0.3838  1.0
  O  O6  4  0.1159  0.0761  0.8828  1.0
  O  O7  4  0.1366  0.2292  0.4503  1.0
  O  O8  4  0.1369  0.5322  0.2497  1.0
  O  O9  4  0.1385  0.5035  0.7318  1.0
  O  O10  4  0.1428  0.7672  0.9375  1.0
]