# generated using pymatgen
data_ScB2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18383528
_cell_length_b   5.65367163
_cell_length_c   6.17310072
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScB2Os
_chemical_formula_sum   'Sc4 B8 Os4'
_cell_volume   180.91939914
_cell_formula_units_Z   4
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  0.25000000  0.01057218  0.32914952  1.0
  Sc  Sc1  1  0.25000000  0.51057218  0.17085048  1.0
  Sc  Sc2  1  0.75000000  0.98942782  0.67085048  1.0
  Sc  Sc3  1  0.75000000  0.48942782  0.82914952  1.0
  B  B4  1  0.08076539  0.35480232  0.53341310  1.0
  B  B5  1  0.41923461  0.85480232  0.96658690  1.0
  B  B6  1  0.58076539  0.64519768  0.46658690  1.0
  B  B7  1  0.91923461  0.14519768  0.03341310  1.0
  B  B8  1  0.91923461  0.64519768  0.46658690  1.0
  B  B9  1  0.58076539  0.14519768  0.03341310  1.0
  B  B10  1  0.41923461  0.35480232  0.53341310  1.0
  B  B11  1  0.08076539  0.85480232  0.96658690  1.0
  Os  Os12  1  0.25000000  0.17720311  0.82072957  1.0
  Os  Os13  1  0.25000000  0.67720311  0.67927043  1.0
  Os  Os14  1  0.75000000  0.82279689  0.17927043  1.0
  Os  Os15  1  0.75000000  0.32279689  0.32072957  1.0