# generated using pymatgen
data_CrB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90046917
_cell_length_b   2.90049441
_cell_length_c   8.06683755
_cell_angle_alpha   100.36195838
_cell_angle_beta   100.36187020
_cell_angle_gamma   89.99591205
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrB
_chemical_formula_sum   'Cr4 B4'
_cell_volume   65.63257254
_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  0.57260837  0.82259573  0.14517640  1.0
  Cr  Cr1  1  0.82260045  0.57261428  0.64518823  1.0
  Cr  Cr2  1  0.42742238  0.17743602  0.85488451  1.0
  Cr  Cr3  1  0.17734458  0.42733299  0.35470694  1.0
  B  B4  1  0.71727520  0.96724782  0.43458736  1.0
  B  B5  1  0.96727501  0.71730113  0.93463442  1.0
  B  B6  1  0.28271688  0.03274352  0.56540081  1.0
  B  B7  1  0.03275614  0.28272850  0.06542133  1.0