data_[Ca10V6O26]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [10.0155]
_cell_length_b [10.0155]
_cell_length_c [6.9564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [Ca5V3O13]
_chemical_formula_sum '[Ca10 V6 O26]'
_cell_volume [604.3086]
_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  6  0.0144  0.7624  0.9592  1
  Ca  Ca1  2  0.3333  0.6667  0.2118  1
  Ca  Ca2  2  0.3333  0.6667  0.7064  1
  V  V3  6  0.0290  0.4017  0.9583  1
  O  O4  6  0.0839  0.3311  0.1524  1
  O  O5  6  0.0913  0.3429  0.7599  1
  O  O6  6  0.1362  0.6047  0.9640  1
  O  O7  6  0.1675  0.6672  0.4562  1
  O  O8  2  0.0000  0.0000  0.4583  1
]