data_[Co4As12O4F72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.5368]
_cell_length_b [13.9751]
_cell_length_c [9.4763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CoAs3OF18]
_chemical_formula_sum '[Co4 As12 O4 F72]'
_cell_volume [1395.4114]
_cell_formula_units_Z [4]
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
[
  Co  Co0  4  0.0000  0.0000  0.5000  1
  As  As1  8  0.2042  0.0544  0.8044  1
  As  As2  4  0.0234  0.2500  0.3783  1
  O  O3  4  0.0773  0.7500  0.0135  1
  F  F4  8  0.0233  0.1170  0.3819  1
  F  F5  8  0.0769  0.0620  0.6681  1
  F  F6  8  0.1211  0.5337  0.8938  1
  F  F7  8  0.1273  0.1412  0.9036  1
  F  F8  8  0.1661  0.5480  0.4394  1
  F  F9  8  0.2126  0.6436  0.2168  1
  F  F10  8  0.2178  0.0322  0.2061  1
  F  F11  4  0.0502  0.7500  0.4578  1
  F  F12  4  0.0964  0.2500  0.2139  1
  F  F13  4  0.1226  0.7500  0.7062  1
  F  F14  4  0.1721  0.2500  0.4590  1
]