# generated using pymatgen
data_Si2NiSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88716207
_cell_length_b   6.88716207
_cell_length_c   6.45054324
_cell_angle_alpha   69.27457639
_cell_angle_beta   69.27457639
_cell_angle_gamma   29.26190962
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2NiSe4
_chemical_formula_sum   'Si2 Ni1 Se4'
_cell_volume   139.19582670
_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
  Si  Si0  1  0.73986600  0.73986600  0.27964300  1.0
  Si  Si1  1  0.26013400  0.26013400  0.72035700  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se3  1  0.87186800  0.87186800  0.47413900  1.0
  Se  Se4  1  0.12813200  0.12813200  0.52586100  1.0
  Se  Se5  1  0.62301700  0.62301700  0.01176700  1.0
  Se  Se6  1  0.37698300  0.37698300  0.98823300  1.0