# generated using pymatgen
data_Cr2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18915353
_cell_length_b   4.20717932
_cell_length_c   7.54956313
_cell_angle_alpha   82.06051433
_cell_angle_beta   73.89230453
_cell_angle_gamma   60.14163690
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2B
_chemical_formula_sum   'Cr8 B4'
_cell_volume   110.86502366
_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
  Cr  Cr0  1  0.79212954  0.25000000  0.41574393  1.0
  Cr  Cr1  1  0.20787046  0.75000000  0.58425607  1.0
  Cr  Cr2  1  0.20983466  0.58032968  0.25000000  1.0
  Cr  Cr3  1  0.04212954  0.75000000  0.91574393  1.0
  Cr  Cr4  1  0.79016534  0.41967032  0.75000000  1.0
  Cr  Cr5  1  0.54016534  0.91967032  0.25000000  1.0
  Cr  Cr6  1  0.95787046  0.25000000  0.08425607  1.0
  Cr  Cr7  1  0.45983466  0.08032968  0.75000000  1.0
  B  B8  1  0.75065071  0.75000000  0.49869757  1.0
  B  B9  1  0.50065071  0.25000000  0.99869757  1.0
  B  B10  1  0.49934929  0.75000000  0.00130243  1.0
  B  B11  1  0.24934929  0.25000000  0.50130243  1.0