# generated using pymatgen
data_ScAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18910329
_cell_length_b   5.18910329
_cell_length_c   8.38812800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.95173342
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlCu
_chemical_formula_sum   'Sc4 Al4 Cu4'
_cell_volume   197.63849309
_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  0.33309200  0.66690800  0.19651800  1.0
  Sc  Sc1  1  0.66692200  0.33307800  0.31613000  1.0
  Sc  Sc2  1  0.66692200  0.33307800  0.68387000  1.0
  Sc  Sc3  1  0.33309200  0.66690800  0.80348200  1.0
  Al  Al4  1  0.99624800  0.00375200  0.26060300  1.0
  Al  Al5  1  0.99624800  0.00375200  0.73939700  1.0
  Al  Al6  1  0.83122200  0.65477200  0.00000000  1.0
  Al  Al7  1  0.34522800  0.16877800  0.00000000  1.0
  Cu  Cu8  1  0.83181900  0.16818100  0.00000000  1.0
  Cu  Cu9  1  0.17145800  0.34299400  0.50000000  1.0
  Cu  Cu10  1  0.65700600  0.82854200  0.50000000  1.0
  Cu  Cu11  1  0.17083500  0.82916500  0.50000000  1.0