data_[Na4Ca2V24O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [Cm]
_cell_length_a [15.6374]
_cell_length_b [7.2064]
_cell_length_c [14.6234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na2CaV12O32]
_chemical_formula_sum '[Na4 Ca2 V24 O64]'
_cell_volume [1487.1824]
_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
[
  Na  Na0  4  0.1631  0.2518  0.6554  1
  Ca  Ca1  2  0.0885  0.0000  0.3456  1
  V  V2  4  0.1722  0.2500  0.9169  1
  V  V3  4  0.2642  0.2509  0.1595  1
  V  V4  4  0.2861  0.2504  0.4770  1
  V  V5  2  0.0772  0.5000  0.0868  1
  V  V6  2  0.0780  0.0000  0.0843  1
  V  V7  2  0.4665  0.5000  0.5249  1
  V  V8  2  0.4679  0.0000  0.5250  1
  V  V9  2  0.4858  0.0000  0.8436  1
  V  V10  2  0.4860  0.5000  0.8432  1
  O  O11  4  0.0282  0.2498  0.8365  1
  O  O12  4  0.1087  0.2489  0.0751  1
  O  O13  4  0.1933  0.2246  0.3592  1
  O  O14  4  0.2179  0.2482  0.8373  1
  O  O15  4  0.2448  0.2499  0.5640  1
  O  O16  4  0.2747  0.2503  0.0428  1
  O  O17  4  0.3718  0.2562  0.2442  1
  O  O18  4  0.4298  0.2538  0.5286  1
  O  O19  2  0.0022  0.0000  0.4317  1
  O  O20  2  0.0306  0.0000  0.1636  1
  O  O21  2  0.0315  0.5000  0.1652  1
  O  O22  2  0.0651  0.0000  0.6376  1
  O  O23  2  0.0671  0.5000  0.6389  1
  O  O24  2  0.1406  0.0000  0.9274  1
  O  O25  2  0.1407  0.5000  0.9259  1
  O  O26  2  0.2215  0.5000  0.1659  1
  O  O27  2  0.2225  0.0000  0.1660  1
  O  O28  2  0.3202  0.5000  0.4691  1
  O  O29  2  0.3285  0.0000  0.4874  1
  O  O30  2  0.3788  0.5000  0.7573  1
  O  O31  2  0.3788  0.0000  0.7572  1
  O  O32  2  0.4744  0.0000  0.9592  1
  O  O33  2  0.4745  0.5000  0.9592  1
  O  O34  2  0.4993  0.0000  0.4316  1
]