# generated using pymatgen
data_Cr2FeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.99523362
_cell_length_b   3.69286903
_cell_length_c   6.38772943
_cell_angle_alpha   90.00000000
_cell_angle_beta   119.20965328
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeSe4
_chemical_formula_sum   'Cr4 Fe2 Se8'
_cell_volume   267.56486542
_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
  Cr  Cr0  1  0.24433400  0.50000000  0.76065800  1
  Cr  Cr1  1  0.75566600  0.50000000  0.23934200  1
  Cr  Cr2  1  0.74433400  0.00000000  0.76065800  1
  Cr  Cr3  1  0.25566600  0.00000000  0.23934200  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.00000000  1
  Se  Se6  1  0.12203000  0.00000000  0.79135200  1
  Se  Se7  1  0.87797000  0.00000000  0.20864800  1
  Se  Se8  1  0.62203000  0.50000000  0.79135200  1
  Se  Se9  1  0.37797000  0.50000000  0.20864800  1
  Se  Se10  1  0.13029500  0.50000000  0.29522400  1
  Se  Se11  1  0.86970500  0.50000000  0.70477600  1
  Se  Se12  1  0.63029500  0.00000000  0.29522400  1
  Se  Se13  1  0.36970500  0.00000000  0.70477600  1
