# generated using pymatgen
data_CrB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84971261
_cell_length_b   3.88354531
_cell_length_c   3.88354476
_cell_angle_alpha   75.07879933
_cell_angle_beta   68.47567397
_cell_angle_gamma   68.47569884
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrB4
_chemical_formula_sum   'Cr1 B4'
_cell_volume   36.81675502
_cell_formula_units_Z   1
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  0.00000000  -0.00000000  -0.00000000  1.0
  B  B1  1  0.65786692  0.53800284  0.14626432  1.0
  B  B2  1  0.65786692  0.14626432  0.53800284  1.0
  B  B3  1  0.34213308  0.85373568  0.46199716  1.0
  B  B4  1  0.34213308  0.46199716  0.85373568  1.0