# generated using pymatgen
data_Sc5CSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56639581
_cell_length_b   6.56785345
_cell_length_c   6.56459401
_cell_angle_alpha   99.40701395
_cell_angle_beta   99.41201410
_cell_angle_gamma   132.26413653
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5CSe4
_chemical_formula_sum   'Sc5 C1 Se4'
_cell_volume   191.65378813
_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  0.41295802  0.75158676  0.16467307  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc2  1  0.58704198  0.24841324  0.83532693  1.0
  Sc  Sc3  1  0.24836893  0.41310359  0.66133894  1.0
  Sc  Sc4  1  0.75163107  0.58689641  0.33866106  1.0
  C  C5  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se6  1  0.09365206  0.69578874  0.78933937  1.0
  Se  Se7  1  0.69579006  0.90649935  0.60210987  1.0
  Se  Se8  1  0.30420994  0.09350065  0.39789013  1.0
  Se  Se9  1  0.90634794  0.30421126  0.21066063  1.0