# generated using pymatgen
data_Sc2PSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68284888
_cell_length_b   6.68284918
_cell_length_c   6.68284956
_cell_angle_alpha   33.00739962
_cell_angle_beta   33.00739795
_cell_angle_gamma   33.00740028
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2PSe
_chemical_formula_sum   'Sc2 P1 Se1'
_cell_volume   78.81853421
_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  0.24197464  0.24197464  0.24197464  1.0
  Sc  Sc1  1  0.75802536  0.75802536  0.75802536  1.0
  P  P2  1  0.50000000  0.50000000  0.50000000  1.0
  Se  Se3  1  0.00000000  0.00000000  0.00000000  1.0