data_[Li9Co12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.7453]
_cell_length_b [6.7453]
_cell_length_c [18.7115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li3(CoS2)4]
_chemical_formula_sum '[Li9 Co12 S24]'
_cell_volume [737.3058]
_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
[
  Li  Li0  9  0.1669  0.3337  0.1906  1.0
  Co  Co1  9  0.1681  0.3362  0.3354  1.0
  Co  Co2  3  0.0000  0.0000  0.9999  1.0
  S  S3  9  0.0004  0.5002  0.2719  1.0
  S  S4  9  0.0014  0.5007  0.7290  1.0
  S  S5  3  0.0000  0.0000  0.2689  1.0
  S  S6  3  0.0000  0.0000  0.7273  1.0
]