# generated using pymatgen
data_MgFeCu5S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89725027
_cell_length_b   3.89701381
_cell_length_c   13.34993963
_cell_angle_alpha   98.24171911
_cell_angle_beta   90.00000160
_cell_angle_gamma   120.00200256
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFeCu5S4
_chemical_formula_sum   'Mg1 Fe1 Cu5 S4'
_cell_volume   173.16437931
_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
  Mg  Mg0  1  0.80797716  0.61595333  0.41680592  1.0
  Fe  Fe1  1  0.68629101  0.37258301  0.05940265  1.0
  Cu  Cu2  1  0.57043826  0.14087652  0.70857370  1.0
  Cu  Cu3  1  0.19583793  0.39167386  0.58477281  1.0
  Cu  Cu4  1  0.31751648  0.63503297  0.95095808  1.0
  Cu  Cu5  1  0.40972104  0.81944107  0.23264539  1.0
  Cu  Cu6  1  0.94635581  0.89271162  0.84038711  1.0
  S  S7  1  0.00485446  0.00970992  0.01426563  1.0
  S  S8  1  0.25380967  0.50762033  0.75942337  1.0
  S  S9  1  0.74435859  0.48871917  0.23698156  1.0
  S  S10  1  0.50450659  0.00901119  0.50828078  1.0