# generated using pymatgen
data_Ni3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.94140949
_cell_length_b   3.67400579
_cell_length_c   6.19680142
_cell_angle_alpha   90.00000000
_cell_angle_beta   120.44946067
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Se4
_chemical_formula_sum   'Ni6 Se8'
_cell_volume   234.37366972
_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
  Ni  Ni0  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni1  1  0.25986500  0.00000000  0.27917600  1
  Ni  Ni2  1  0.24013500  0.50000000  0.72082400  1
  Ni  Ni3  1  0.50000000  0.50000000  -0.00000000  1
  Ni  Ni4  1  0.75986500  0.50000000  0.27917600  1
  Ni  Ni5  1  0.74013500  0.00000000  0.72082400  1
  Se  Se6  1  0.11836900  0.00000000  0.45786100  1
  Se  Se7  1  0.38163100  0.50000000  0.54213900  1
  Se  Se8  1  0.13551200  0.50000000  0.97720900  1
  Se  Se9  1  0.36448800  0.00000000  0.02279100  1
  Se  Se10  1  0.61836900  0.50000000  0.45786100  1
  Se  Se11  1  0.88163100  0.00000000  0.54213900  1
  Se  Se12  1  0.63551200  0.00000000  0.97720900  1
  Se  Se13  1  0.86448800  0.50000000  0.02279100  1
