# generated using pymatgen
data_Cr8Fe3CuS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.94749512
_cell_length_b   11.94749512
_cell_length_c   11.94749536
_cell_angle_alpha   33.48322678
_cell_angle_beta   33.48322678
_cell_angle_gamma   33.48322810
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr8Fe3CuS16
_chemical_formula_sum   'Cr8 Fe3 Cu1 S16'
_cell_volume   462.29093821
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.56202100  0.06310400  0.56202100  1.0
  Cr  Cr1  1  0.06152400  0.56490300  0.06152400  1.0
  Cr  Cr2  1  0.06310400  0.56202100  0.56202100  1.0
  Cr  Cr3  1  0.56490300  0.06152400  0.06152400  1.0
  Cr  Cr4  1  0.81257800  0.81257800  0.81257800  1.0
  Cr  Cr5  1  0.31239900  0.31239900  0.31239900  1.0
  Cr  Cr6  1  0.56202100  0.56202100  0.06310400  1.0
  Cr  Cr7  1  0.06152400  0.06152400  0.56490300  1.0
  Fe  Fe8  1  0.62450500  0.62450500  0.62450500  1.0
  Fe  Fe9  1  0.00019300  0.00019300  0.00019300  1.0
  Fe  Fe10  1  0.49972600  0.49972600  0.49972600  1.0
  Cu  Cu11  1  0.12518000  0.12518000  0.12518000  1.0
  S  S12  1  0.19201100  0.68007800  0.19201100  1.0
  S  S13  1  0.69189900  0.18038500  0.69189900  1.0
  S  S14  1  0.68007800  0.19201100  0.19201100  1.0
  S  S15  1  0.18038500  0.69189900  0.69189900  1.0
  S  S16  1  0.43591600  0.43591600  0.43591600  1.0
  S  S17  1  0.93616600  0.93616600  0.93616600  1.0
  S  S18  1  0.19201100  0.19201100  0.68007800  1.0
  S  S19  1  0.69189900  0.69189900  0.18038500  1.0
  S  S20  1  0.92553400  0.45674400  0.92553400  1.0
  S  S21  1  0.43313500  0.94586100  0.43313500  1.0
  S  S22  1  0.45674400  0.92553400  0.92553400  1.0
  S  S23  1  0.94586100  0.43313500  0.43313500  1.0
  S  S24  1  0.68818900  0.68818900  0.68818900  1.0
  S  S25  1  0.19182400  0.19182400  0.19182400  1.0
  S  S26  1  0.92553400  0.92553400  0.45674400  1.0
  S  S27  1  0.43313500  0.43313500  0.94586100  1.0