# generated using pymatgen
data_Zn4FeSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.70686888
_cell_length_b   16.70686888
_cell_length_c   16.70686872
_cell_angle_alpha   13.91664917
_cell_angle_beta   13.91664917
_cell_angle_gamma   13.91664880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4FeSe5
_chemical_formula_sum   'Zn4 Fe1 Se5'
_cell_volume   234.75359295
_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
  Zn  Zn0  1  0.40006000  0.40006000  0.40006000  1.0
  Zn  Zn1  1  0.80003500  0.80003500  0.80003500  1.0
  Zn  Zn2  1  0.20002900  0.20002900  0.20002900  1.0
  Zn  Zn3  1  0.60000900  0.60000900  0.60000900  1.0
  Fe  Fe4  1  0.00010700  0.00010700  0.00010700  1.0
  Se  Se5  1  0.04957100  0.04957100  0.04957100  1.0
  Se  Se6  1  0.45004800  0.45004800  0.45004800  1.0
  Se  Se7  1  0.85000000  0.85000000  0.85000000  1.0
  Se  Se8  1  0.24998400  0.24998400  0.24998400  1.0
  Se  Se9  1  0.65015700  0.65015700  0.65015700  1.0