[CIF]
data_ZnFe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.40490132
_cell_length_b   3.89400245
_cell_length_c   4.25056268
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Se
_chemical_formula_sum   'Zn1 Fe2 Se1'
_cell_volume   56.35691025
_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
  Fe  Fe0  1  1.70245066  0.00000000  2.12528134  1
  Fe  Fe1  1  0.00000000  0.00000000  0.00000000  1
  Se  Se2  1  0.00000000  1.94700123  2.12528134  1
  Zn  Zn3  1  1.70245066  1.94700123  0.00000000  1
[/CIF]
