# generated using pymatgen
data_CrB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85298536
_cell_length_b   4.74941782
_cell_length_c   5.48834964
_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   74.36724469
_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  0.00000000  0.00000000  0.00000000  1
  Cr  Cr1  1  0.50000000  0.50000000  0.50000000  1
  B  B2  1  0.50000000  0.69527400  0.84219800  1
  B  B3  1  0.50000000  0.30472600  0.84219800  1
  B  B4  1  0.50000000  0.69527400  0.15780200  1
  B  B5  1  0.50000000  0.30472600  0.15780200  1
  B  B6  1  0.00000000  0.19527400  0.34219800  1
  B  B7  1  0.00000000  0.80472600  0.34219800  1
  B  B8  1  0.00000000  0.19527400  0.65780200  1
  B  B9  1  0.00000000  0.80472600  0.65780200  1
