data_[Co9Cu3Ni6S24]
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
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.6562]
_cell_length_b [6.6562]
_cell_length_c [16.4110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Co3Cu(NiS4)2]
_chemical_formula_sum '[Co9 Cu3 Ni6 S24]'
_cell_volume [629.6850]
_cell_formula_units_Z [3]
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  9  0.0001  0.5000  0.0005  1.0
  Cu  Cu1  3  0.0000  0.0000  0.1263  1.0
  Ni  Ni2  3  0.0000  0.0000  0.5010  1.0
  Ni  Ni3  3  0.0000  0.0000  0.8750  1.0
  S  S4  9  0.0237  0.5118  0.2551  1.0
  S  S5  9  0.1826  0.3651  0.0783  1.0
  S  S6  3  0.0000  0.0000  0.2631  1.0
  S  S7  3  0.0000  0.0000  0.7402  1.0
]