# generated using pymatgen
data_Nb19Fe20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92945420
_cell_length_b   4.92945420
_cell_length_c   26.93469892
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb19Fe20
_chemical_formula_sum   'Nb19 Fe20'
_cell_volume   566.81381761
_cell_formula_units_Z   1
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
  Nb  Nb0  1  0.33333300  0.66666700  0.21690400  1
  Nb  Nb1  1  0.00000000  0.00000000  0.54916700  1
  Nb  Nb2  1  0.66666700  0.33333300  0.88139700  1
  Nb  Nb3  1  0.33333300  0.66666700  0.11860300  1
  Nb  Nb4  1  0.00000000  0.00000000  0.45083300  1
  Nb  Nb5  1  0.66666700  0.33333300  0.78309600  1
  Nb  Nb6  1  0.66666700  0.33333300  0.16845400  1
  Nb  Nb7  1  0.33333300  0.66666700  0.50002500  1
  Nb  Nb8  1  0.00000000  0.00000000  0.83167300  1
  Nb  Nb9  1  0.00000000  0.00000000  0.16832700  1
  Nb  Nb10  1  0.66666700  0.33333300  0.49997500  1
  Nb  Nb11  1  0.33333300  0.66666700  0.83154600  1
  Nb  Nb12  1  0.33333300  0.66666700  0.31963700  1
  Nb  Nb13  1  0.00000000  0.00000000  0.65272800  1
  Nb  Nb14  1  0.66666700  0.33333300  0.98415400  1
  Nb  Nb15  1  0.33333300  0.66666700  0.01584600  1
  Nb  Nb16  1  0.00000000  0.00000000  0.34727200  1
  Nb  Nb17  1  0.66666700  0.33333300  0.68036300  1
  Nb  Nb18  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe19  1  0.34069000  0.17034500  0.07901200  1
  Fe  Fe20  1  0.99980800  0.49990400  0.40862400  1
  Fe  Fe21  1  0.66621500  0.83310700  0.74133700  1
  Fe  Fe22  1  0.82965500  0.65931000  0.07901200  1
  Fe  Fe23  1  0.50009600  0.00019200  0.40862400  1
  Fe  Fe24  1  0.16689300  0.33378500  0.74133700  1
  Fe  Fe25  1  0.82965500  0.17034500  0.07901200  1
  Fe  Fe26  1  0.50009600  0.49990400  0.40862400  1
  Fe  Fe27  1  0.16689300  0.83310700  0.74133700  1
  Fe  Fe28  1  0.33378500  0.16689300  0.25866300  1
  Fe  Fe29  1  0.00019200  0.50009600  0.59137600  1
  Fe  Fe30  1  0.65931000  0.82965500  0.92098800  1
  Fe  Fe31  1  0.83310700  0.66621500  0.25866300  1
  Fe  Fe32  1  0.49990400  0.99980800  0.59137600  1
  Fe  Fe33  1  0.17034500  0.34069000  0.92098800  1
  Fe  Fe34  1  0.83310700  0.16689300  0.25866300  1
  Fe  Fe35  1  0.49990400  0.50009600  0.59137600  1
  Fe  Fe36  1  0.17034500  0.82965500  0.92098800  1
  Fe  Fe37  1  0.66666700  0.33333300  0.33379500  1
  Fe  Fe38  1  0.33333300  0.66666700  0.66620500  1
