# generated using pymatgen
data_Co2NiSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.98556373
_cell_length_b   3.59590058
_cell_length_c   6.15993452
_cell_angle_alpha   90.00000000
_cell_angle_beta   119.31253081
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2NiSe4
_chemical_formula_sum   'Co4 Ni2 Se8'
_cell_volume   231.49408902
_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
  Co  Co0  1  0.73904700  0.00000000  0.72014000  1
  Co  Co1  1  0.76095300  0.50000000  0.27986000  1
  Co  Co2  1  0.23904700  0.50000000  0.72014000  1
  Co  Co3  1  0.26095300  0.00000000  0.27986000  1
  Ni  Ni4  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni5  1  0.50000000  0.50000000  -0.00000000  1
  Se  Se6  1  0.87536500  0.00000000  0.54004000  1
  Se  Se7  1  0.62463500  0.50000000  0.45996000  1
  Se  Se8  1  0.63779100  0.00000000  0.97926200  1
  Se  Se9  1  0.86220900  0.50000000  0.02073800  1
  Se  Se10  1  0.37536500  0.50000000  0.54004000  1
  Se  Se11  1  0.12463500  0.00000000  0.45996000  1
  Se  Se12  1  0.13779100  0.50000000  0.97926200  1
  Se  Se13  1  0.36220900  0.00000000  0.02073800  1
