# generated using pymatgen
data_ReB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12942382
_cell_length_b   3.12942382
_cell_length_c   7.59790866
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999283
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReB3
_chemical_formula_sum   'Re2 B6'
_cell_volume   64.43969845
_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
  Re  Re0  1  0.66666700  0.33333300  0.75000000  1.0
  Re  Re1  1  0.33333300  0.66666700  0.25000000  1.0
  B  B2  1  0.00000000  0.00000000  0.50000000  1.0
  B  B3  1  0.00000000  0.00000000  0.00000000  1.0
  B  B4  1  0.33333300  0.66666700  0.55634734  1.0
  B  B5  1  0.66666700  0.33333300  0.05634734  1.0
  B  B6  1  0.66666700  0.33333300  0.44365266  1.0
  B  B7  1  0.33333300  0.66666700  0.94365266  1.0