# generated using pymatgen
data_NdFeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26766363
_cell_length_b   5.26788382
_cell_length_c   8.78227200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   58.60659548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdFeCu
_chemical_formula_sum   'Nd4 Fe4 Cu4'
_cell_volume   208.02761576
_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  0.33357600  0.33356300  0.56524500  1.0
  Nd  Nd1  1  0.66884200  0.66883200  0.43610000  1.0
  Nd  Nd2  1  0.66884200  0.66883200  0.06390000  1.0
  Nd  Nd3  1  0.33357600  0.33356300  0.93475500  1.0
  Fe  Fe4  1  0.83694000  0.83691100  0.75000000  1.0
  Fe  Fe5  1  0.17046900  0.66368600  0.25000000  1.0
  Fe  Fe6  1  0.66367800  0.17048600  0.25000000  1.0
  Fe  Fe7  1  0.16494500  0.16496200  0.25000000  1.0
  Cu  Cu8  1  0.99731000  0.99732400  0.49839300  1.0
  Cu  Cu9  1  0.99731000  0.99732400  0.00160700  1.0
  Cu  Cu10  1  0.83670700  0.32781900  0.75000000  1.0
  Cu  Cu11  1  0.32780400  0.83669700  0.75000000  1.0