[CIF]
data_ZrFe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02269491
_cell_length_b   4.02269491
_cell_length_c   5.09798374
_cell_angle_alpha   112.40869947
_cell_angle_beta   112.40869947
_cell_angle_gamma   58.54028183
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe2Se
_chemical_formula_sum   'Zr1 Fe2 Se1'
_cell_volume   63.29459146
_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  -0.00203031  -0.00000000  0.49723572  1
  Fe  Fe1  1  4.69729217  -0.00000000  1.05387385  1
  Se  Se2  1  2.40124464  -0.00000000  1.82520789  1
  Zr  Zr3  1  0.08900286  -0.00000000  3.50182116  1
[/CIF]
