# generated using pymatgen
data_CrB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72747553
_cell_length_b   5.47895286
_cell_length_c   2.85337990
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrB4
_chemical_formula_sum   'Cr2 B8'
_cell_volume   73.90714926
_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  0.50000000  0.50000000  0.50000000  1
  Cr  Cr1  1  0.00000000  0.00000000  0.00000000  1
  B  B2  1  0.50000000  0.66542800  0.86600700  1
  B  B3  1  0.50000000  0.33457200  0.13399300  1
  B  B4  1  0.00000000  0.16542800  0.63399300  1
  B  B5  1  0.00000000  0.83457200  0.36600700  1
  B  B6  1  0.50000000  0.72296700  0.17788600  1
  B  B7  1  0.50000000  0.27703300  0.82211400  1
  B  B8  1  0.00000000  0.22296700  0.32211400  1
  B  B9  1  0.00000000  0.77703300  0.67788600  1
