# generated using pymatgen
data_ScAlCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98459568
_cell_length_b   5.98459568
_cell_length_c   5.98459568
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlCo2
_chemical_formula_sum   'Sc4 Al4 Co8'
_cell_volume   214.34060106
_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  0.00000000  0.00000000  0.00000000  1
  Sc  Sc1  1  0.00000000  0.50000000  0.50000000  1
  Sc  Sc2  1  0.50000000  0.00000000  0.50000000  1
  Sc  Sc3  1  0.50000000  0.50000000  0.00000000  1
  Al  Al4  1  0.50000000  0.50000000  0.50000000  1
  Al  Al5  1  0.50000000  0.00000000  0.00000000  1
  Al  Al6  1  0.00000000  0.50000000  0.00000000  1
  Al  Al7  1  0.00000000  0.00000000  0.50000000  1
  Co  Co8  1  0.75000000  0.75000000  0.75000000  1
  Co  Co9  1  0.75000000  0.75000000  0.25000000  1
  Co  Co10  1  0.75000000  0.25000000  0.25000000  1
  Co  Co11  1  0.75000000  0.25000000  0.75000000  1
  Co  Co12  1  0.25000000  0.75000000  0.25000000  1
  Co  Co13  1  0.25000000  0.75000000  0.75000000  1
  Co  Co14  1  0.25000000  0.25000000  0.75000000  1
  Co  Co15  1  0.25000000  0.25000000  0.25000000  1
