# generated using pymatgen
data_Sc2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65871600
_cell_length_b   6.69180479
_cell_length_c   6.69253046
_cell_angle_alpha   119.21121019
_cell_angle_beta   99.88847877
_cell_angle_gamma   99.95672587
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Se3
_chemical_formula_sum   'Sc4 Se6'
_cell_volume   244.72533385
_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  0.00038100  0.99107200  0.00189600  1.0
  Sc  Sc1  1  0.49995800  0.51243700  0.82934000  1.0
  Sc  Sc2  1  0.50085800  0.49437300  0.16888800  1.0
  Sc  Sc3  1  0.00039600  0.00698200  0.66395900  1.0
  Se  Se4  1  0.75261600  0.75365700  0.24094500  1.0
  Se  Se5  1  0.74860200  0.74723300  0.59166400  1.0
  Se  Se6  1  0.75168100  0.74601300  0.91876700  1.0
  Se  Se7  1  0.24997100  0.23161000  0.76340400  1.0
  Se  Se8  1  0.25185800  0.27062000  0.06899900  1.0
  Se  Se9  1  0.25087000  0.25205600  0.41598600  1.0