# generated using pymatgen
data_ScCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38462551
_cell_length_b   4.38462551
_cell_length_c   6.90114119
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000682
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuSn
_chemical_formula_sum   'Sc2 Cu2 Sn2'
_cell_volume   114.89907371
_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
  Sc  Sc0  1  -0.00000000  -0.00000000  0.99653155  1.0
  Sc  Sc1  1  -0.00000000  -0.00000000  0.49653155  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.83145445  1.0
  Cu  Cu3  1  0.66666700  0.33333300  0.33145445  1.0
  Sn  Sn4  1  0.33333300  0.66666700  0.22762501  1.0
  Sn  Sn5  1  0.66666700  0.33333300  0.72762501  1.0