# generated using pymatgen
data_CrB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91362962
_cell_length_b   2.91362962
_cell_length_c   15.68103784
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrB
_chemical_formula_sum   'Cr8 B8'
_cell_volume   133.12005545
_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
  Cr  Cr0  1  0.50000000  0.50000000  0.69759500  1
  Cr  Cr1  1  0.50000000  0.00000000  0.94759500  1
  Cr  Cr2  1  0.00000000  0.50000000  0.05240500  1
  Cr  Cr3  1  0.00000000  0.00000000  0.80240500  1
  Cr  Cr4  1  0.00000000  0.00000000  0.19759500  1
  Cr  Cr5  1  0.00000000  0.50000000  0.44759500  1
  Cr  Cr6  1  0.50000000  0.00000000  0.55240500  1
  Cr  Cr7  1  0.50000000  0.50000000  0.30240500  1
  B  B8  1  0.50000000  0.50000000  0.84269000  1
  B  B9  1  0.50000000  0.00000000  0.09269000  1
  B  B10  1  0.00000000  0.50000000  0.90731000  1
  B  B11  1  0.00000000  0.00000000  0.65731000  1
  B  B12  1  0.00000000  0.00000000  0.34269000  1
  B  B13  1  0.00000000  0.50000000  0.59269000  1
  B  B14  1  0.50000000  0.00000000  0.40731000  1
  B  B15  1  0.50000000  0.50000000  0.15731000  1
