# generated using pymatgen
data_Cr2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35485448
_cell_length_b   6.35485448
_cell_length_c   17.65914958
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Se3
_chemical_formula_sum   'Cr12 Se18'
_cell_volume   617.60618571
_cell_formula_units_Z   6
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
  Cr  Cr0  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr1  1  0.33333300  0.66666700  0.16666700  1
  Cr  Cr2  1  0.66666700  0.33333300  0.00904900  1
  Cr  Cr3  1  0.00000000  0.00000000  0.32428500  1
  Cr  Cr4  1  0.66666700  0.33333300  0.33333300  1
  Cr  Cr5  1  0.00000000  0.00000000  0.50000000  1
  Cr  Cr6  1  0.33333300  0.66666700  0.34238200  1
  Cr  Cr7  1  0.66666700  0.33333300  0.65761800  1
  Cr  Cr8  1  0.33333300  0.66666700  0.66666700  1
  Cr  Cr9  1  0.66666700  0.33333300  0.83333300  1
  Cr  Cr10  1  0.00000000  0.00000000  0.67571500  1
  Cr  Cr11  1  0.33333300  0.66666700  0.99095100  1
  Se  Se12  1  0.01545800  0.34071300  0.07947700  1
  Se  Se13  1  0.32525600  0.98454200  0.07947700  1
  Se  Se14  1  0.65928700  0.67474400  0.07947700  1
  Se  Se15  1  0.65120900  0.99262000  0.25385700  1
  Se  Se16  1  0.34141100  0.34879100  0.25385700  1
  Se  Se17  1  0.00738000  0.65858900  0.25385700  1
  Se  Se18  1  0.68212400  0.67404600  0.41281000  1
  Se  Se19  1  0.99192200  0.31787600  0.41281000  1
  Se  Se20  1  0.32595400  0.00807800  0.41281000  1
  Se  Se21  1  0.31787600  0.32595400  0.58719000  1
  Se  Se22  1  0.00807800  0.68212400  0.58719000  1
  Se  Se23  1  0.67404600  0.99192200  0.58719000  1
  Se  Se24  1  0.34879100  0.00738000  0.74614300  1
  Se  Se25  1  0.65858900  0.65120900  0.74614300  1
  Se  Se26  1  0.99262000  0.34141100  0.74614300  1
  Se  Se27  1  0.98454200  0.65928700  0.92052300  1
  Se  Se28  1  0.67474400  0.01545800  0.92052300  1
  Se  Se29  1  0.34071300  0.32525600  0.92052300  1
