# generated using pymatgen
data_ScCuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94833885
_cell_length_b   6.53023046
_cell_length_c   7.16051603
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuSi
_chemical_formula_sum   'Sc4 Cu4 Si4'
_cell_volume   184.62361348
_cell_formula_units_Z   4
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
  Sc  Sc0  1  0.75000000  0.99246193  0.80554991  1.0
  Sc  Sc1  1  0.25000000  0.50753807  0.30554991  1.0
  Sc  Sc2  1  0.75000000  0.49246193  0.69445009  1.0
  Sc  Sc3  1  0.25000000  0.00753807  0.19445009  1.0
  Cu  Cu4  1  0.25000000  0.65691408  0.93382615  1.0
  Cu  Cu5  1  0.25000000  0.15691408  0.56617385  1.0
  Cu  Cu6  1  0.75000000  0.84308592  0.43382615  1.0
  Cu  Cu7  1  0.75000000  0.34308592  0.06617385  1.0
  Si  Si8  1  0.25000000  0.27446497  0.89164524  1.0
  Si  Si9  1  0.25000000  0.77446497  0.60835476  1.0
  Si  Si10  1  0.75000000  0.72553503  0.10835476  1.0
  Si  Si11  1  0.75000000  0.22553503  0.39164524  1.0