# generated using pymatgen
data_NdCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72636722
_cell_length_b   7.19458855
_cell_length_c   7.48396220
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.68509095
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdCuSe2
_chemical_formula_sum   'Nd4 Cu4 Se8'
_cell_volume   359.71227538
_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
  Nd  Nd0  1  0.69183353  0.29896288  0.54736434  1.0
  Nd  Nd1  1  0.30816647  0.20103712  0.04736434  1.0
  Nd  Nd2  1  0.30816647  0.70103712  0.45263566  1.0
  Nd  Nd3  1  0.69183353  0.79896288  0.95263566  1.0
  Cu  Cu4  1  0.06747583  0.54851998  0.84082102  1.0
  Cu  Cu5  1  0.93252417  0.45148002  0.15917898  1.0
  Cu  Cu6  1  0.06747583  0.04851998  0.65917898  1.0
  Cu  Cu7  1  0.93252417  0.95148002  0.34082102  1.0
  Se  Se8  1  0.41579944  0.00181234  0.72419825  1.0
  Se  Se9  1  0.41579944  0.50181234  0.77580175  1.0
  Se  Se10  1  0.58420056  0.49818766  0.22419825  1.0
  Se  Se11  1  0.58420056  0.99818766  0.27580175  1.0
  Se  Se12  1  0.90424668  0.72272428  0.61203742  1.0
  Se  Se13  1  0.09575332  0.77727572  0.11203742  1.0
  Se  Se14  1  0.09575332  0.27727572  0.38796258  1.0
  Se  Se15  1  0.90424668  0.22272428  0.88796258  1.0