# generated using pymatgen
data_Sc2Ni4BIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43402369
_cell_length_b   5.43402488
_cell_length_c   5.42329693
_cell_angle_alpha   60.06527918
_cell_angle_beta   60.06527197
_cell_angle_gamma   61.47837559
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ni4BIr2
_chemical_formula_sum   'Sc2 Ni4 B1 Ir2'
_cell_volume   114.56383652
_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  0.24728216  0.24728216  0.25690838  1.0
  Sc  Sc1  1  0.75271784  0.75271784  0.75147270  1.0
  Ni  Ni2  1  0.73966537  0.73966537  0.26640419  1.0
  Ni  Ni3  1  0.26033463  0.26033463  0.74573493  1.0
  Ni  Ni4  1  0.73260203  0.26739897  0.74260523  1.0
  Ni  Ni5  1  0.26739897  0.73260203  0.74260523  1.0
  B  B6  1  0.00000000  0.00000000  0.97681698  1.0
  Ir  Ir7  1  0.74212684  0.25787416  0.25872718  1.0
  Ir  Ir8  1  0.25787416  0.74212684  0.25872718  1.0