# generated using pymatgen
data_Sc6In2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51552285
_cell_length_b   6.51552265
_cell_length_c   6.51552284
_cell_angle_alpha   59.99999396
_cell_angle_beta   59.99999497
_cell_angle_gamma   60.00000149
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6In2B
_chemical_formula_sum   'Sc6 In2 B1'
_cell_volume   195.58375208
_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  0.74829644  0.25170256  0.25170256  1.0
  Sc  Sc1  1  0.25170256  0.74829644  0.25170256  1.0
  Sc  Sc2  1  0.74829644  0.74829644  0.25170256  1.0
  Sc  Sc3  1  0.25170256  0.25170256  0.74829644  1.0
  Sc  Sc4  1  0.74829644  0.25170256  0.74829644  1.0
  Sc  Sc5  1  0.25170256  0.74829644  0.74829644  1.0
  In  In6  1  0.25000000  0.25000000  0.25000000  1.0
  In  In7  1  0.75000000  0.75000000  0.75000000  1.0
  B  B8  1  0.49999900  0.49999900  0.49999900  1.0