# generated using pymatgen
data_ZrScB24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24043093
_cell_length_b   5.24043100
_cell_length_c   9.09416146
_cell_angle_alpha   73.25452261
_cell_angle_beta   106.74547621
_cell_angle_gamma   120.00000677
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScB24
_chemical_formula_sum   'Zr1 Sc1 B24'
_cell_volume   203.96476789
_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
  Zr  Zr0  1  0.74515500  0.25484500  0.23546600  1.0
  Sc  Sc1  1  0.25572000  0.74428000  0.76716000  1.0
  B  B2  1  0.99985700  0.66148300  0.99976000  1.0
  B  B3  1  0.66138600  0.00014300  0.99976000  1.0
  B  B4  1  0.33851700  0.33861400  0.99976000  1.0
  B  B5  1  0.33851700  0.00014300  0.99976000  1.0
  B  B6  1  0.66138600  0.66148300  0.99976000  1.0
  B  B7  1  0.99985700  0.33861400  0.99976000  1.0
  B  B8  1  0.66895000  0.33105000  0.66840500  1.0
  B  B9  1  0.33050500  0.33105000  0.66840500  1.0
  B  B10  1  0.66895000  0.66949500  0.66840500  1.0
  B  B11  1  0.33070400  0.66929600  0.33109800  1.0
  B  B12  1  0.66968900  0.66929600  0.33109800  1.0
  B  B13  1  0.33070400  0.33031100  0.33109800  1.0
  B  B14  1  0.17021900  0.82978100  0.17066000  1.0
  B  B15  1  0.83022100  0.82978100  0.17066000  1.0
  B  B16  1  0.17021900  0.16977900  0.17066000  1.0
  B  B17  1  0.83011200  0.16988800  0.82945000  1.0
  B  B18  1  0.16922500  0.16988800  0.82945000  1.0
  B  B19  1  0.83011200  0.83077500  0.82945000  1.0
  B  B20  1  0.49968700  0.16117100  0.49999600  1.0
  B  B21  1  0.16148000  0.50031300  0.49999600  1.0
  B  B22  1  0.83882900  0.83852000  0.49999600  1.0
  B  B23  1  0.83882900  0.50031300  0.49999600  1.0
  B  B24  1  0.16148000  0.16117100  0.49999600  1.0
  B  B25  1  0.49968700  0.83852000  0.49999600  1.0