# generated using pymatgen
data_Sc3Nb2Sn3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48282481
_cell_length_b   8.48282487
_cell_length_c   5.93724882
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999977
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Nb2Sn3Se
_chemical_formula_sum   'Sc6 Nb4 Sn6 Se2'
_cell_volume   369.99587407
_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  0.74075596  0.74075596  0.75000000  1.0
  Sc  Sc1  1  0.25924404  0.00000000  0.75000000  1.0
  Sc  Sc2  1  0.00000000  0.25924404  0.75000000  1.0
  Sc  Sc3  1  0.25924404  0.25924404  0.25000000  1.0
  Sc  Sc4  1  0.74075596  0.00000000  0.25000000  1.0
  Sc  Sc5  1  0.00000000  0.74075596  0.25000000  1.0
  Nb  Nb6  1  0.66666700  0.33333300  0.00000000  1.0
  Nb  Nb7  1  0.33333300  0.66666700  0.00000000  1.0
  Nb  Nb8  1  0.33333300  0.66666700  0.50000000  1.0
  Nb  Nb9  1  0.66666700  0.33333300  0.50000000  1.0
  Sn  Sn10  1  0.39930853  0.39930853  0.75000000  1.0
  Sn  Sn11  1  0.60069147  0.00000000  0.75000000  1.0
  Sn  Sn12  1  0.00000000  0.60069147  0.75000000  1.0
  Sn  Sn13  1  0.60069147  0.60069147  0.25000000  1.0
  Sn  Sn14  1  0.39930853  0.00000000  0.25000000  1.0
  Sn  Sn15  1  1.00000000  0.39930853  0.25000000  1.0
  Se  Se16  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se17  1  0.00000000  0.00000000  0.50000000  1.0