data_[Co8Cu4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5666]
_cell_length_b [5.5694]
_cell_length_c [16.7283]
_cell_angle_alpha [89.8950]
_cell_angle_beta [89.9506]
_cell_angle_gamma [89.8861]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Co2CuS6]
_chemical_formula_sum '[Co8 Cu4 S24]'
_cell_volume [518.6191]
_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  1  0.0010  0.9990  0.0011  1
  Co  Co1  1  0.0054  0.4967  0.8348  1
  Co  Co2  1  0.4969  0.9982  0.4992  1
  Co  Co3  1  0.4997  0.9997  0.1661  1
  Co  Co4  1  0.5027  0.4994  0.6699  1
  Co  Co5  1  0.5049  0.0046  0.8344  1
  Co  Co6  1  0.9983  0.4977  0.1648  1
  Co  Co7  1  0.9988  0.9993  0.3296  1
  Cu  Cu8  1  0.0004  0.9985  0.6665  1
  Cu  Cu9  1  0.4980  0.4991  0.3339  1
  Cu  Cu10  1  0.5021  0.5014  0.9990  1
  Cu  Cu11  1  0.9993  0.4994  0.5004  1
  S  S12  1  0.0967  0.6167  0.0386  1
  S  S13  1  0.0978  0.6186  0.3638  1
  S  S14  1  0.1122  0.8878  0.8720  1
  S  S15  1  0.1125  0.5962  0.7071  1
  S  S16  1  0.1135  0.8876  0.2033  1
  S  S17  1  0.1201  0.9018  0.5323  1
  S  S18  1  0.3820  0.3831  0.1976  1
  S  S19  1  0.3837  0.3853  0.8665  1
  S  S20  1  0.3839  0.0954  0.0388  1
  S  S21  1  0.3852  0.0991  0.3716  1
  S  S22  1  0.4020  0.3846  0.5403  1
  S  S23  1  0.4044  0.1151  0.7065  1
  S  S24  1  0.5957  0.8824  0.6287  1
  S  S25  1  0.5989  0.6182  0.4676  1
  S  S26  1  0.6112  0.6129  0.7972  1
  S  S27  1  0.6153  0.6147  0.1342  1
  S  S28  1  0.6154  0.9036  0.9613  1
  S  S29  1  0.6176  0.9062  0.2937  1
  S  S30  1  0.8799  0.3999  0.6354  1
  S  S31  1  0.8862  0.1135  0.1278  1
  S  S32  1  0.8862  0.0980  0.4592  1
  S  S33  1  0.8863  0.1148  0.8025  1
  S  S34  1  0.9012  0.3863  0.2923  1
  S  S35  1  0.9042  0.3851  0.9622  1
]