# generated using pymatgen
data_ScCuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64945169
_cell_length_b   6.64945169
_cell_length_c   3.91417700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999696
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuGe
_chemical_formula_sum   'Sc3 Cu3 Ge3'
_cell_volume   149.87968664
_cell_formula_units_Z   3
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  0.59154600  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.00000000  0.59154600  0.00000000  1.0
  Sc  Sc2  1  0.40845400  0.40845400  0.00000000  1.0
  Cu  Cu3  1  0.33333300  0.66666700  0.50000000  1.0
  Cu  Cu4  1  0.66666700  0.33333300  0.50000000  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1.0
  Ge  Ge6  1  0.26479000  0.00000000  0.50000000  1.0
  Ge  Ge7  1  0.00000000  0.26479000  0.50000000  1.0
  Ge  Ge8  1  0.73521000  0.73521000  0.50000000  1.0