# generated using pymatgen
data_ScB4Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60258757
_cell_length_b   7.60258749
_cell_length_c   3.45779155
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000525
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScB4Ir3
_chemical_formula_sum   'Sc2 B8 Ir6'
_cell_volume   173.08214767
_cell_formula_units_Z   2
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  0.33333300  0.66666700  0.75000000  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.25000000  1.0
  B  B2  1  0.59866227  0.54846978  0.75000000  1.0
  B  B3  1  0.05019250  0.59866227  0.25000000  1.0
  B  B4  1  0.54846978  0.94980750  0.25000000  1.0
  B  B5  1  0.45153022  0.05019250  0.75000000  1.0
  B  B6  1  0.00000000  -0.00000000  -0.00000000  1.0
  B  B7  1  0.40133773  0.45153022  0.25000000  1.0
  B  B8  1  0.00000000  -0.00000000  0.50000000  1.0
  B  B9  1  0.94980750  0.40133773  0.75000000  1.0
  Ir  Ir10  1  0.74688617  0.07647980  0.75000000  1.0
  Ir  Ir11  1  0.32959362  0.25311383  0.75000000  1.0
  Ir  Ir12  1  0.67040638  0.74688617  0.25000000  1.0
  Ir  Ir13  1  0.07647980  0.32959362  0.25000000  1.0
  Ir  Ir14  1  0.25311383  0.92352020  0.25000000  1.0
  Ir  Ir15  1  0.92352020  0.67040638  0.75000000  1.0