data_[Ca8Ta16Co8O56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ta  1.5000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1672]
_cell_length_b [15.1431]
_cell_length_c [11.8037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaTa2CoO7]
_chemical_formula_sum '[Ca8 Ta16 Co8 O56]'
_cell_volume [1252.8967]
_cell_formula_units_Z [8]
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  0.0601  0.0103  0.2294  1
  Ca  Ca1  4  0.3133  0.1287  0.9607  1
  Ta  Ta2  4  0.1287  0.1405  0.5159  1
  Ta  Ta3  4  0.1651  0.6252  0.5229  1
  Ta  Ta4  4  0.4227  0.5158  0.1917  1
  Ta  Ta5  4  0.4937  0.7174  0.2013  1
  Co  Co6  4  0.0081  0.7455  0.2564  1
  Co  Co7  4  0.3571  0.6687  0.9208  1
  O  O8  4  0.0086  0.6412  0.6290  1
  O  O9  4  0.0115  0.6401  0.3773  1
  O  O10  4  0.0271  0.1358  0.3580  1
  O  O11  4  0.0607  0.6670  0.8996  1
  O  O12  4  0.2319  0.0273  0.5544  1
  O  O13  4  0.2320  0.5084  0.5389  1
  O  O14  4  0.2759  0.0216  0.7945  1
  O  O15  4  0.2760  0.2250  0.7851  1
  O  O16  4  0.3061  0.7446  0.7790  1
  O  O17  4  0.3287  0.2207  0.5433  1
  O  O18  4  0.3712  0.5570  0.8145  1
  O  O19  4  0.3857  0.7008  0.5552  1
  O  O20  4  0.4113  0.6241  0.0846  1
  O  O21  4  0.4363  0.1105  0.2068  1
]