# generated using pymatgen
data_Cr8Cu3NiS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.04347064
_cell_length_b   12.04347228
_cell_length_c   12.04346321
_cell_angle_alpha   33.52122819
_cell_angle_beta   33.52123635
_cell_angle_gamma   33.52118423
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr8Cu3NiS16
_chemical_formula_sum   'Cr8 Cu3 Ni1 S16'
_cell_volume   474.50049017
_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  0.24956359  0.24956380  0.24956270  1.0
  Cr  Cr1  1  0.74988752  0.74988758  0.74988749  1.0
  Cr  Cr2  1  0.00069145  0.00069143  0.49891768  1.0
  Cr  Cr3  1  0.50092123  0.50092087  -0.00171689  1.0
  Cr  Cr4  1  0.00069109  0.49891798  0.00069146  1.0
  Cr  Cr5  1  0.50092052  -0.00171654  0.50092105  1.0
  Cr  Cr6  1  -0.00171587  0.50092021  0.50092050  1.0
  Cr  Cr7  1  0.49891781  0.00069108  0.00069160  1.0
  Cu  Cu8  1  0.43756548  0.43756593  0.43756585  1.0
  Cu  Cu9  1  0.56230381  0.56230405  0.56230431  1.0
  Cu  Cu10  1  0.06253918  0.06253926  0.06253972  1.0
  Ni  Ni11  1  0.93746728  0.93746755  0.93746712  1.0
  S  S12  1  0.87229896  0.87229886  0.87229817  1.0
  S  S13  1  0.37113118  0.37113100  0.37113026  1.0
  S  S14  1  0.13375296  0.13375289  0.61007282  1.0
  S  S15  1  0.63636709  0.63636675  0.10660955  1.0
  S  S16  1  0.13375240  0.61007347  0.13375276  1.0
  S  S17  1  0.63636665  0.10660968  0.63636696  1.0
  S  S18  1  0.61007298  0.13375262  0.13375307  1.0
  S  S19  1  0.10660924  0.63636679  0.63636734  1.0
  S  S20  1  0.62859101  0.62859091  0.62859168  1.0
  S  S21  1  0.12870916  0.12870894  0.12870982  1.0
  S  S22  1  0.36397197  0.36397162  0.89375247  1.0
  S  S23  1  0.86383145  0.86383154  0.39323483  1.0
  S  S24  1  0.36397173  0.89375287  0.36397150  1.0
  S  S25  1  0.86383178  0.39323449  0.86383172  1.0
  S  S26  1  0.89375265  0.36397174  0.36397182  1.0
  S  S27  1  0.39323468  0.86383164  0.86383163  1.0