# generated using pymatgen
data_ScB3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29929043
_cell_length_b   3.08587015
_cell_length_c   6.60881364
_cell_angle_alpha   90.00000000
_cell_angle_beta   100.27133982
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScB3W
_chemical_formula_sum   'Sc2 B6 W2'
_cell_volume   106.34146874
_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  0.31469902  0.75000100  0.28741552  1.0
  Sc  Sc1  1  0.68530098  0.25000000  0.71258448  1.0
  B  B2  1  0.08821403  0.25000000  0.00826666  1.0
  B  B3  1  0.41647266  0.25000000  0.01022398  1.0
  B  B4  1  0.91337198  0.75000100  0.47880443  1.0
  B  B5  1  0.08662702  0.25000000  0.52119557  1.0
  B  B6  1  0.58352634  0.75000100  0.98977602  1.0
  B  B7  1  0.91178697  0.75000100  0.99173334  1.0
  W  W8  1  0.80511453  0.25000000  0.22425158  1.0
  W  W9  1  0.19488447  0.75000100  0.77574842  1.0