# generated using pymatgen
data_AlCr3B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92092274
_cell_length_b   2.91841184
_cell_length_c   8.05827478
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr3B4
_chemical_formula_sum   'Al1 Cr3 B4'
_cell_volume   68.69240483
_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
  Al  Al0  1  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr1  1  0.00000000  -0.00000000  0.70200793  1.0
  Cr  Cr2  1  -0.00000000  0.00000000  0.29799207  1.0
  Cr  Cr3  1  0.00000000  0.50000000  -0.00000000  1.0
  B  B4  1  0.50000000  0.00000000  0.10800941  1.0
  B  B5  1  0.50000000  0.50000000  0.22379044  1.0
  B  B6  1  0.50000000  0.00000000  0.89199059  1.0
  B  B7  1  0.50000000  0.50000000  0.77620956  1.0