data_[Ca36Co18Si36O30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-4]
_cell_length_a [21.3864]
_cell_length_b [21.3864]
_cell_length_c [4.7753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [81]
_chemical_formula_structural [Ca6Co3Si6O5]
_chemical_formula_sum '[Ca36 Co18 Si36 O30]'
_cell_volume [2184.1219]
_cell_formula_units_Z [6]
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  4  0.0512  0.8902  0.4976  1
  Ca  Ca1  4  0.0539  0.5597  0.4997  1
  Ca  Ca2  4  0.0598  0.2178  0.5068  1
  Ca  Ca3  4  0.1138  0.7301  0.4896  1
  Ca  Ca4  4  0.1195  0.3907  0.4898  1
  Ca  Ca5  4  0.2206  0.6129  0.4986  1
  Ca  Ca6  4  0.2268  0.2845  0.5140  1
  Ca  Ca7  4  0.2832  0.4494  0.4849  1
  Ca  Ca8  4  0.3895  0.5646  0.5057  1
  Co  Co9  4  0.0129  0.6848  0.0113  1
  Co  Co10  4  0.1656  0.8335  0.0138  1
  Co  Co11  4  0.1925  0.5104  0.9909  1
  Co  Co12  4  0.3285  0.3290  0.9918  1
  Co  Co13  1  0.0000  0.0000  0.0000  1
  Co  Co14  1  0.5000  0.5000  0.0000  1
  Si  Si15  4  0.0533  0.4511  0.0447  1
  Si  Si16  4  0.0547  0.7859  0.9730  1
  Si  Si17  4  0.0550  0.1115  0.9972  1
  Si  Si18  4  0.1187  0.6249  0.9899  1
  Si  Si19  4  0.1263  0.2688  0.0256  1
  Si  Si20  4  0.2197  0.7282  0.0168  1
  Si  Si21  4  0.2306  0.3832  0.9895  1
  Si  Si22  4  0.2882  0.5633  0.9911  1
  Si  Si23  4  0.3947  0.4592  0.9776  1
  O  O24  4  0.0007  0.1648  0.1501  1
  O  O25  4  0.0330  0.3858  0.1968  1
  O  O26  4  0.0497  0.4541  0.7094  1
  O  O27  4  0.1162  0.4764  0.1972  1
  O  O28  4  0.1636  0.3351  0.8679  1
  O  O29  4  0.1715  0.6778  0.8184  1
  O  O30  4  0.3411  0.5085  0.1536  1
  O  O31  2  0.0000  0.5000  0.1709  1
]