# generated using pymatgen
data_NbCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01207352
_cell_length_b   8.01207352
_cell_length_c   10.78028890
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2
_chemical_formula_sum   'Nb16 Cr32'
_cell_volume   692.02255758
_cell_formula_units_Z   16
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  0.00000000  0.00000000  0.34070200  1
  Nb  Nb1  1  0.00000000  0.00000000  0.65929800  1
  Nb  Nb2  1  0.80298300  0.30298300  0.25000000  1
  Nb  Nb3  1  0.69701700  0.19701700  0.75000000  1
  Nb  Nb4  1  0.80298300  0.69701700  0.25000000  1
  Nb  Nb5  1  0.19701700  0.30298300  0.25000000  1
  Nb  Nb6  1  0.00000000  0.50000000  0.44042100  1
  Nb  Nb7  1  0.00000000  0.50000000  0.05957900  1
  Nb  Nb8  1  0.50000000  0.50000000  0.84070200  1
  Nb  Nb9  1  0.50000000  0.50000000  0.15929800  1
  Nb  Nb10  1  0.30298300  0.80298300  0.75000000  1
  Nb  Nb11  1  0.19701700  0.69701700  0.25000000  1
  Nb  Nb12  1  0.30298300  0.19701700  0.75000000  1
  Nb  Nb13  1  0.69701700  0.80298300  0.75000000  1
  Nb  Nb14  1  0.50000000  0.00000000  0.94042100  1
  Nb  Nb15  1  0.50000000  0.00000000  0.55957900  1
  Cr  Cr16  1  0.24912700  0.00000000  0.12817700  1
  Cr  Cr17  1  0.00000000  0.24912700  0.87182300  1
  Cr  Cr18  1  0.00000000  0.75087300  0.87182300  1
  Cr  Cr19  1  0.75087300  0.00000000  0.12817700  1
  Cr  Cr20  1  0.84121300  0.00000000  0.91534500  1
  Cr  Cr21  1  0.50000000  0.34121300  0.58465500  1
  Cr  Cr22  1  0.00000000  0.15878700  0.08465500  1
  Cr  Cr23  1  0.65878700  0.50000000  0.41534500  1
  Cr  Cr24  1  0.16304600  0.50000000  0.84036100  1
  Cr  Cr25  1  0.50000000  0.16304600  0.15963900  1
  Cr  Cr26  1  0.00000000  0.33695400  0.65963900  1
  Cr  Cr27  1  0.33695400  0.00000000  0.34036100  1
  Cr  Cr28  1  0.20581400  0.20581400  0.50000000  1
  Cr  Cr29  1  0.29418600  0.29418600  0.00000000  1
  Cr  Cr30  1  0.20581400  0.79418600  0.50000000  1
  Cr  Cr31  1  0.79418600  0.20581400  0.50000000  1
  Cr  Cr32  1  0.74912700  0.50000000  0.62817700  1
  Cr  Cr33  1  0.50000000  0.74912700  0.37182300  1
  Cr  Cr34  1  0.50000000  0.25087300  0.37182300  1
  Cr  Cr35  1  0.25087300  0.50000000  0.62817700  1
  Cr  Cr36  1  0.34121300  0.50000000  0.41534500  1
  Cr  Cr37  1  0.00000000  0.84121300  0.08465500  1
  Cr  Cr38  1  0.50000000  0.65878700  0.58465500  1
  Cr  Cr39  1  0.15878700  0.00000000  0.91534500  1
  Cr  Cr40  1  0.66304600  0.00000000  0.34036100  1
  Cr  Cr41  1  0.00000000  0.66304600  0.65963900  1
  Cr  Cr42  1  0.50000000  0.83695400  0.15963900  1
  Cr  Cr43  1  0.83695400  0.50000000  0.84036100  1
  Cr  Cr44  1  0.70581400  0.70581400  0.00000000  1
  Cr  Cr45  1  0.79418600  0.79418600  0.50000000  1
  Cr  Cr46  1  0.70581400  0.29418600  0.00000000  1
  Cr  Cr47  1  0.29418600  0.70581400  0.00000000  1
