# generated using pymatgen
data_Cs6ScSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.42729947
_cell_length_b   11.42729994
_cell_length_c   8.71759670
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999864
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs6ScSe4
_chemical_formula_sum   'Cs12 Sc2 Se8'
_cell_volume   985.85863947
_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
  Cs  Cs0  1  0.13695753  0.86304247  0.54880261  1.0
  Cs  Cs1  1  0.27391505  0.13695753  0.04880261  1.0
  Cs  Cs2  1  0.86304247  0.72608495  0.04880261  1.0
  Cs  Cs3  1  0.13695753  0.27391505  0.54880261  1.0
  Cs  Cs4  1  0.72608495  0.86304247  0.54880261  1.0
  Cs  Cs5  1  0.86304247  0.13695753  0.04880261  1.0
  Cs  Cs6  1  0.53164045  0.46835955  0.35738836  1.0
  Cs  Cs7  1  0.06328090  0.53164045  0.85738836  1.0
  Cs  Cs8  1  0.46835955  0.93671910  0.85738836  1.0
  Cs  Cs9  1  0.53164045  0.06328090  0.35738836  1.0
  Cs  Cs10  1  0.93671910  0.46835955  0.35738836  1.0
  Cs  Cs11  1  0.46835955  0.53164045  0.85738836  1.0
  Sc  Sc12  1  0.33333300  0.66666700  0.25670481  1.0
  Sc  Sc13  1  0.66666700  0.33333300  0.75670481  1.0
  Se  Se14  1  0.33333300  0.66666700  0.55485515  1.0
  Se  Se15  1  0.66666700  0.33333300  0.05485515  1.0
  Se  Se16  1  0.20957972  0.79042028  0.15985672  1.0
  Se  Se17  1  0.41915945  0.20957972  0.65985672  1.0
  Se  Se18  1  0.79042028  0.58084055  0.65985672  1.0
  Se  Se19  1  0.20957972  0.41915945  0.15985672  1.0
  Se  Se20  1  0.58084055  0.79042028  0.15985672  1.0
  Se  Se21  1  0.79042028  0.20957972  0.65985672  1.0