# generated using pymatgen
data_Cr3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.61868919
_cell_length_b   3.46089113
_cell_length_c   6.07232066
_cell_angle_alpha   90.00000000
_cell_angle_beta   117.05779029
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3S4
_chemical_formula_sum   'Cr6 S8'
_cell_volume   236.16432310
_cell_formula_units_Z   2
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  0.26411500  0.00000000  0.28078200  1
  Cr  Cr1  1  0.23588500  0.50000000  0.71921800  1
  Cr  Cr2  1  0.50000000  0.50000000  -0.00000000  1
  Cr  Cr3  1  0.76411500  0.50000000  0.28078200  1
  Cr  Cr4  1  0.73588500  0.00000000  0.71921800  1
  Cr  Cr5  1  0.00000000  0.00000000  0.00000000  1
  S  S6  1  0.37532900  0.50000000  0.55244900  1
  S  S7  1  0.12467100  0.00000000  0.44755100  1
  S  S8  1  0.36610700  0.00000000  0.02000100  1
  S  S9  1  0.13389300  0.50000000  0.97999900  1
  S  S10  1  0.87532900  0.00000000  0.55244900  1
  S  S11  1  0.62467100  0.50000000  0.44755100  1
  S  S12  1  0.86610700  0.50000000  0.02000100  1
  S  S13  1  0.63389300  0.00000000  0.97999900  1
