# generated using pymatgen
data_Sc5GaSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73176518
_cell_length_b   6.73176554
_cell_length_c   6.73176455
_cell_angle_alpha   99.50350013
_cell_angle_beta   99.50348521
_cell_angle_gamma   132.05043495
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5GaSe4
_chemical_formula_sum   'Sc5 Ga1 Se4'
_cell_volume   206.98125732
_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  0.40383264  0.78982167  0.19365431  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc2  1  0.59616736  0.21017833  0.80634569  1.0
  Sc  Sc3  1  0.21017833  0.40383264  0.61400996  1.0
  Sc  Sc4  1  0.78982167  0.59616736  0.38599004  1.0
  Ga  Ga5  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se6  1  0.09732021  0.69793220  0.79525141  1.0
  Se  Se7  1  0.69793220  0.90267979  0.60061199  1.0
  Se  Se8  1  0.30206780  0.09732021  0.39938801  1.0
  Se  Se9  1  0.90267979  0.30206780  0.20474859  1.0