# generated using pymatgen
data_CrB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90195057
_cell_length_b   2.90339431
_cell_length_c   4.16061840
_cell_angle_alpha   110.42091999
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrB
_chemical_formula_sum   'Cr2 B2'
_cell_volume   32.85225495
_cell_formula_units_Z   2
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  0.75000000  0.14537805  0.29075711  1.0
  Cr  Cr1  1  0.25000000  0.85462195  0.70924289  1.0
  B  B2  1  0.75000000  0.43505866  0.87011632  1.0
  B  B3  1  0.25000000  0.56494134  0.12988368  1.0