data_[Co4Br11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7627]
_cell_length_b [9.9891]
_cell_length_c [20.5062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [93.1151]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Co4Br11]
_chemical_formula_sum '[Co4 Br11]'
_cell_volume [1587.7414]
_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
[
  Co  Co0  1  0.1304  0.1503  0.5345  1
  Co  Co1  1  0.3787  0.0072  0.4861  1
  Co  Co2  1  0.4733  0.4525  0.5296  1
  Co  Co3  1  0.9864  0.3894  0.5594  1
  Br  Br4  1  0.0510  0.3149  0.4508  1
  Br  Br5  1  0.0802  0.9414  0.4822  1
  Br  Br6  1  0.2286  0.5424  0.5830  1
  Br  Br7  1  0.2544  0.6390  0.3622  1
  Br  Br8  1  0.4335  0.2135  0.5554  1
  Br  Br9  1  0.4736  0.0627  0.3793  1
  Br  Br10  1  0.4916  0.5116  0.4216  1
  Br  Br11  1  0.5487  0.8639  0.5394  1
  Br  Br12  1  0.7410  0.5205  0.5793  1
  Br  Br13  1  0.7559  0.1909  0.4065  1
  Br  Br14  1  0.9726  0.1996  0.6307  1
]