data_[Mn3Cr24Cu9S48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [7.0236]
_cell_length_b [7.0236]
_cell_length_c [34.2821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MnCr8Cu3S16]
_chemical_formula_sum '[Mn3 Cr24 Cu9 S48]'
_cell_volume [1464.5885]
_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
[
  Mn  Mn0  3  0.0000  0.0000  0.0625  1
  Cr  Cr1  9  0.0034  0.5017  0.5006  1
  Cr  Cr2  9  0.0046  0.5023  0.9990  1
  Cr  Cr3  3  0.0000  0.0000  0.2496  1
  Cr  Cr4  3  0.0000  0.0000  0.7518  1
  Cu  Cu5  3  0.0000  0.0000  0.4376  1
  Cu  Cu6  3  0.0000  0.0000  0.5624  1
  Cu  Cu7  3  0.0000  0.0000  0.9375  1
  S  S8  9  0.0217  0.5108  0.8736  1
  S  S9  9  0.0261  0.5130  0.3734  1
  S  S10  9  0.1773  0.3546  0.4598  1
  S  S11  9  0.1774  0.3548  0.9595  1
  S  S12  3  0.0000  0.0000  0.1299  1
  S  S13  3  0.0000  0.0000  0.3708  1
  S  S14  3  0.0000  0.0000  0.6293  1
  S  S15  3  0.0000  0.0000  0.8711  1
]