# generated using pymatgen
data_Fe4NiSe10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85055956
_cell_length_b   3.61796590
_cell_length_c   29.02784425
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.22147423
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4NiSe10
_chemical_formula_sum   'Fe8 Ni2 Se20'
_cell_volume   509.41045085
_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  0.50003400  0.50000000  0.10002500  1
  Fe  Fe1  1  0.49996600  0.50000000  0.89997500  1
  Fe  Fe2  1  0.49823400  0.50000000  0.70028600  1
  Fe  Fe3  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe4  1  0.50176600  0.50000000  0.29971400  1
  Fe  Fe5  1  0.00019700  0.00000000  0.19994300  1
  Fe  Fe6  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe7  1  0.99980300  0.00000000  0.80005700  1
  Ni  Ni8  1  0.99980800  0.00000000  0.60012100  1
  Ni  Ni9  1  0.00019200  0.00000000  0.39987900  1
  Se  Se10  1  0.28121100  0.50000000  0.17335100  1
  Se  Se11  1  0.28119900  0.50000000  0.97354500  1
  Se  Se12  1  0.28062000  0.50000000  0.77403700  1
  Se  Se13  1  0.29314700  0.50000000  0.57322800  1
  Se  Se14  1  0.29379400  0.50000000  0.37283800  1
  Se  Se15  1  0.71880100  0.50000000  0.02645500  1
  Se  Se16  1  0.71878900  0.50000000  0.82664900  1
  Se  Se17  1  0.70620600  0.50000000  0.62716200  1
  Se  Se18  1  0.70685300  0.50000000  0.42677200  1
  Se  Se19  1  0.71938000  0.50000000  0.22596300  1
  Se  Se20  1  0.78135400  0.00000000  0.12634200  1
  Se  Se21  1  0.78115300  0.00000000  0.92650000  1
  Se  Se22  1  0.78255100  0.00000000  0.72675600  1
  Se  Se23  1  0.78075500  0.00000000  0.52505600  1
  Se  Se24  1  0.77926200  0.00000000  0.32478900  1
  Se  Se25  1  0.21884700  0.00000000  0.07350000  1
  Se  Se26  1  0.21864600  0.00000000  0.87365800  1
  Se  Se27  1  0.22073800  0.00000000  0.67521100  1
  Se  Se28  1  0.21924500  0.00000000  0.47494400  1
  Se  Se29  1  0.21744900  0.00000000  0.27324400  1
