# generated using pymatgen
data_ReB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45434806
_cell_length_b   5.45434806
_cell_length_c   6.18578600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000074
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReB4
_chemical_formula_sum   'Re4 B16'
_cell_volume   159.37170413
_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
  Re  Re0  1  0.33333300  0.66666700  0.25000000  1.0
  Re  Re1  1  0.66666700  0.33333300  0.75000000  1.0
  Re  Re2  1  0.00000000  0.00000000  0.25000000  1.0
  Re  Re3  1  0.00000000  0.00000000  0.75000000  1.0
  B  B4  1  0.33758300  0.33758300  0.50000000  1.0
  B  B5  1  0.66241700  0.00000000  0.50000000  1.0
  B  B6  1  0.00000000  0.66241700  0.50000000  1.0
  B  B7  1  0.66241700  0.66241700  0.50000000  1.0
  B  B8  1  0.00000000  0.33758300  0.50000000  1.0
  B  B9  1  0.33758300  0.00000000  0.50000000  1.0
  B  B10  1  0.66241700  0.66241700  0.00000000  1.0
  B  B11  1  0.33758300  0.00000000  0.00000000  1.0
  B  B12  1  0.00000000  0.33758300  0.00000000  1.0
  B  B13  1  0.33758300  0.33758300  0.00000000  1.0
  B  B14  1  0.00000000  0.66241700  0.00000000  1.0
  B  B15  1  0.66241700  0.00000000  0.00000000  1.0
  B  B16  1  0.33333300  0.66666700  0.88684200  1.0
  B  B17  1  0.66666700  0.33333300  0.11315800  1.0
  B  B18  1  0.66666700  0.33333300  0.38684200  1.0
  B  B19  1  0.33333300  0.66666700  0.61315800  1.0