# generated using pymatgen
data_NbCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89504200
_cell_length_b   4.89504200
_cell_length_c   8.10529880
_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   'Nb4 Cr8'
_cell_volume   168.19477733
_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
  Nb  Nb0  1  0.33333300  0.66666700  0.43929700  1
  Nb  Nb1  1  0.66666700  0.33333300  0.56070300  1
  Nb  Nb2  1  0.66666700  0.33333300  0.93929700  1
  Nb  Nb3  1  0.33333300  0.66666700  0.06070300  1
  Cr  Cr4  1  0.00000000  0.00000000  0.50000000  1
  Cr  Cr5  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr6  1  0.83012100  0.16987900  0.25000000  1
  Cr  Cr7  1  0.83012100  0.66024200  0.25000000  1
  Cr  Cr8  1  0.33975800  0.16987900  0.25000000  1
  Cr  Cr9  1  0.16987900  0.83012100  0.75000000  1
  Cr  Cr10  1  0.16987900  0.33975800  0.75000000  1
  Cr  Cr11  1  0.66024200  0.83012100  0.75000000  1
