# generated using pymatgen
data_Sc5BSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60968055
_cell_length_b   6.60968065
_cell_length_c   6.60968018
_cell_angle_alpha   99.45728424
_cell_angle_beta   99.45727736
_cell_angle_gamma   132.17332620
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5BSe4
_chemical_formula_sum   'Sc5 B1 Se4'
_cell_volume   195.63670213
_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  0.41008086  0.76238058  0.17246144  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc2  1  0.58991914  0.23761942  0.82753856  1.0
  Sc  Sc3  1  0.23761942  0.41008086  0.64769928  1.0
  Sc  Sc4  1  0.76238058  0.58991914  0.35230072  1.0
  B  B5  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se6  1  0.09344769  0.69581682  0.78926350  1.0
  Se  Se7  1  0.69581682  0.90655231  0.60236913  1.0
  Se  Se8  1  0.30418318  0.09344769  0.39763087  1.0
  Se  Se9  1  0.90655231  0.30418318  0.21073650  1.0