# generated using pymatgen
data_ScCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29323556
_cell_length_b   4.29158588
_cell_length_c   4.29025703
_cell_angle_alpha   59.96145053
_cell_angle_beta   59.96230212
_cell_angle_gamma   59.91761933
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCu3
_chemical_formula_sum   'Sc1 Cu3'
_cell_volume   55.82767417
_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
  Sc  Sc0  1  0.75000013  0.75000149  0.74999902  1.0
  Cu  Cu1  1  0.25000094  0.24999843  0.24999836  1.0
  Cu  Cu2  1  0.00016588  0.99967206  0.99976921  1.0
  Cu  Cu3  1  0.49983506  0.50032901  0.50023342  1.0