# generated using pymatgen
data_ZrB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91264111
_cell_length_b   4.91264111
_cell_length_c   4.91264111
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrB
_chemical_formula_sum   'Zr4 B4'
_cell_volume   118.56189020
_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
  Zr  Zr0  1  0.00000000  0.50000000  0.00000000  1
  Zr  Zr1  1  0.00000000  0.00000000  0.50000000  1
  Zr  Zr2  1  0.50000000  0.50000000  0.50000000  1
  Zr  Zr3  1  0.50000000  0.00000000  0.00000000  1
  B  B4  1  0.00000000  0.00000000  0.00000000  1
  B  B5  1  0.00000000  0.50000000  0.50000000  1
  B  B6  1  0.50000000  0.00000000  0.50000000  1
  B  B7  1  0.50000000  0.50000000  0.00000000  1
