data_[Al6Cr9Cu3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.0551]
_cell_length_b [7.0551]
_cell_length_c [17.2636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Al2Cr3CuS8]
_chemical_formula_sum '[Al6 Cr9 Cu3 S24]'
_cell_volume [744.1683]
_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
[
  Al  Al0  3  0.0000  0.0000  0.0050  1.0
  Al  Al1  3  0.0000  0.0000  0.6251  1.0
  Cr  Cr2  9  0.1717  0.3433  0.8319  1.0
  Cu  Cu3  3  0.0000  0.0000  0.3749  1.0
  S  S4  9  0.0212  0.5106  0.7528  1.0
  S  S5  9  0.1776  0.3552  0.5805  1.0
  S  S6  3  0.0000  0.0000  0.2413  1.0
  S  S7  3  0.0000  0.0000  0.7579  1.0
]