# generated using pymatgen
data_NaCuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04521410
_cell_length_b   4.04521410
_cell_length_c   6.80534228
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuSe
_chemical_formula_sum   'Na2 Cu2 Se2'
_cell_volume   111.36096815
_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
  Na  Na0  1  0.25000000  0.25000000  0.16253155  1.0
  Na  Na1  1  0.75000000  0.75000000  0.83746845  1.0
  Cu  Cu2  1  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu3  1  0.25000000  0.75000000  0.50000000  1.0
  Se  Se4  1  0.25000000  0.25000000  0.72371544  1.0
  Se  Se5  1  0.75000000  0.75000000  0.27628456  1.0