data_[Na2Ca13]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0494]
_cell_length_b [9.7974]
_cell_length_c [9.9604]
_cell_angle_alpha [65.5963]
_cell_angle_beta [81.7081]
_cell_angle_gamma [83.3426]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2Ca13]
_chemical_formula_sum '[Na2 Ca13]'
_cell_volume [618.7059]
_cell_formula_units_Z [1]
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  2  0.1324  0.7932  0.4622  1.0
  Ca  Ca1  2  0.0651  0.4050  0.7236  1.0
  Ca  Ca2  2  0.2001  0.1909  0.2103  1.0
  Ca  Ca3  2  0.2618  0.5936  0.9457  1.0
  Ca  Ca4  2  0.3158  0.9934  0.6634  1.0
  Ca  Ca5  2  0.4228  0.3910  0.3984  1.0
  Ca  Ca6  2  0.4701  0.8004  0.1379  1.0
  Ca  Ca7  1  0.0000  0.0000  0.0000  1.0
]