# generated using pymatgen
data_NbCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92355932
_cell_length_b   4.92355932
_cell_length_c   16.08529515
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2
_chemical_formula_sum   'Nb8 Cr16'
_cell_volume   337.68985640
_cell_formula_units_Z   8
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  0.40534900  1
  Nb  Nb1  1  0.00000000  0.00000000  0.59465100  1
  Nb  Nb2  1  0.00000000  0.00000000  0.90534900  1
  Nb  Nb3  1  0.00000000  0.00000000  0.09465100  1
  Nb  Nb4  1  0.33333300  0.66666700  0.65646000  1
  Nb  Nb5  1  0.66666700  0.33333300  0.34354000  1
  Nb  Nb6  1  0.66666700  0.33333300  0.15646000  1
  Nb  Nb7  1  0.33333300  0.66666700  0.84354000  1
  Cr  Cr8  1  0.33333300  0.66666700  0.37644000  1
  Cr  Cr9  1  0.66666700  0.33333300  0.62356000  1
  Cr  Cr10  1  0.66666700  0.33333300  0.87644000  1
  Cr  Cr11  1  0.33333300  0.66666700  0.12356000  1
  Cr  Cr12  1  0.50000000  0.50000000  0.50000000  1
  Cr  Cr13  1  0.50000000  0.00000000  0.50000000  1
  Cr  Cr14  1  0.00000000  0.50000000  0.50000000  1
  Cr  Cr15  1  0.50000000  0.50000000  0.00000000  1
  Cr  Cr16  1  0.50000000  0.00000000  0.00000000  1
  Cr  Cr17  1  0.00000000  0.50000000  0.00000000  1
  Cr  Cr18  1  0.16385900  0.83614100  0.25000000  1
  Cr  Cr19  1  0.16385900  0.32771800  0.25000000  1
  Cr  Cr20  1  0.67228200  0.83614100  0.25000000  1
  Cr  Cr21  1  0.83614100  0.16385900  0.75000000  1
  Cr  Cr22  1  0.83614100  0.67228200  0.75000000  1
  Cr  Cr23  1  0.32771800  0.16385900  0.75000000  1
