# generated using pymatgen
data_FeCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46258316
_cell_length_b   5.46258316
_cell_length_c   5.61498769
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuSe2
_chemical_formula_sum   'Fe2 Cu2 Se4'
_cell_volume   167.55019266
_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
  Fe  Fe0  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe1  1  0.00000000  0.50000000  0.00000000  1
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu3  1  0.00000000  0.00000000  0.50000000  1
  Se  Se4  1  0.73832200  0.26167800  0.25398300  1
  Se  Se5  1  0.26167800  0.26167800  0.74601700  1
  Se  Se6  1  0.73832200  0.73832200  0.74601700  1
  Se  Se7  1  0.26167800  0.73832200  0.25398300  1
