# generated using pymatgen
data_K2NbCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89618800
_cell_length_b   6.91541947
_cell_length_c   18.15515252
_cell_angle_alpha   86.03051481
_cell_angle_beta   80.65474321
_cell_angle_gamma   64.76655885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NbCuSe2
_chemical_formula_sum   'K8 Nb4 Cu4 Se8'
_cell_volume   660.74412059
_cell_formula_units_Z   4
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
  K  K0  1  0.55666800  0.25430000  0.57283900  1.0
  K  K1  1  0.87049300  0.74570000  0.57283900  1.0
  K  K2  1  0.18903200  0.25430000  0.42716100  1.0
  K  K3  1  0.19333200  0.24570000  0.92716100  1.0
  K  K4  1  0.38380800  0.74570000  0.42716100  1.0
  K  K5  1  0.87950700  0.75430000  0.92716100  1.0
  K  K6  1  0.56096800  0.24570000  0.07283900  1.0
  K  K7  1  0.36619200  0.75430000  0.07283900  1.0
  Nb  Nb8  1  0.87500000  0.25000000  0.25000000  1.0
  Nb  Nb9  1  0.87500000  0.75000000  0.25000000  1.0
  Nb  Nb10  1  0.87500000  0.25000000  0.75000000  1.0
  Nb  Nb11  1  0.37500000  0.75000000  0.75000000  1.0
  Cu  Cu12  1  0.37500000  0.25000000  0.25000000  1.0
  Cu  Cu13  1  0.37500000  0.75000000  0.25000000  1.0
  Cu  Cu14  1  0.37500000  0.25000000  0.75000000  1.0
  Cu  Cu15  1  0.87500000  0.75000000  0.75000000  1.0
  Se  Se16  1  0.04444500  0.22892900  0.11612600  1.0
  Se  Se17  1  0.83943000  0.77107100  0.11612600  1.0
  Se  Se18  1  0.72662600  0.22892900  0.88387400  1.0
  Se  Se19  1  0.70555500  0.27107100  0.38387400  1.0
  Se  Se20  1  0.38949900  0.77107100  0.88387400  1.0
  Se  Se21  1  0.91057000  0.72892900  0.38387400  1.0
  Se  Se22  1  0.02337400  0.27107100  0.61612600  1.0
  Se  Se23  1  0.36050100  0.72892900  0.61612600  1.0