# generated using pymatgen
data_ZrScB24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23808871
_cell_length_b   5.23808878
_cell_length_c   9.07948813
_cell_angle_alpha   73.23437895
_cell_angle_beta   106.76561988
_cell_angle_gamma   120.00000676
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScB24
_chemical_formula_sum   'Zr1 Sc1 B24'
_cell_volume   203.42407694
_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  0.74997943  0.25002057  0.24993928  1.0
  Sc  Sc1  1  0.25004485  0.74995515  0.75013455  1.0
  B  B2  1  0.00020293  0.66119947  0.99975972  1.0
  B  B3  1  0.66075626  0.99979707  0.99975972  1.0
  B  B4  1  0.33880053  0.33924374  0.99975972  1.0
  B  B5  1  0.33880053  0.99979707  0.99975972  1.0
  B  B6  1  0.66075626  0.66119947  0.99975972  1.0
  B  B7  1  0.00020293  0.33924374  0.99975972  1.0
  B  B8  1  0.66931949  0.33068051  0.66922411  1.0
  B  B9  1  0.33058514  0.33068051  0.66922411  1.0
  B  B10  1  0.66931949  0.66941486  0.66922411  1.0
  B  B11  1  0.33044266  0.66955734  0.33066871  1.0
  B  B12  1  0.66978238  0.66955734  0.33066871  1.0
  B  B13  1  0.33044266  0.33021762  0.33066871  1.0
  B  B14  1  0.16956286  0.83043714  0.16933980  1.0
  B  B15  1  0.83021307  0.83043714  0.16933980  1.0
  B  B16  1  0.16956286  0.16978693  0.16933980  1.0
  B  B17  1  0.83067105  0.16932895  0.83075676  1.0
  B  B18  1  0.16941367  0.16932895  0.83075676  1.0
  B  B19  1  0.83067105  0.83058633  0.83075676  1.0
  B  B20  1  0.49979187  0.16074834  0.50023344  1.0
  B  B21  1  0.16118991  0.50020813  0.50023344  1.0
  B  B22  1  0.83925166  0.83881009  0.50023344  1.0
  B  B23  1  0.83925166  0.50020813  0.50023344  1.0
  B  B24  1  0.16118991  0.16074834  0.50023344  1.0
  B  B25  1  0.49979187  0.83881009  0.50023344  1.0