# generated using pymatgen
data_MgFeCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79767209
_cell_length_b   3.79828168
_cell_length_c   6.23087807
_cell_angle_alpha   90.03674136
_cell_angle_beta   89.90316037
_cell_angle_gamma   120.01077269
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFeCuS2
_chemical_formula_sum   'Mg1 Fe1 Cu1 S2'
_cell_volume   77.82815399
_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  0.99985865  0.00004509  0.50285368  1.0
  Fe  Fe1  1  0.33258933  0.66660497  0.72824102  1.0
  Cu  Cu2  1  0.66830008  0.33333388  0.14236897  1.0
  S  S3  1  0.33354245  0.66677432  0.31114356  1.0
  S  S4  1  0.66571049  0.33324173  0.78414277  1.0