# generated using pymatgen
data_Zr9Re4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.49006751
_cell_length_b   8.49006751
_cell_length_c   8.71870300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr9Re4B
_chemical_formula_sum   'Zr18 Re8 B2'
_cell_volume   544.25799737
_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
  Zr  Zr0  1  0.20161900  0.79838100  0.44634300  1.0
  Zr  Zr1  1  0.20161900  0.40323800  0.44634300  1.0
  Zr  Zr2  1  0.59676200  0.79838100  0.44634300  1.0
  Zr  Zr3  1  0.79838100  0.20161900  0.55365700  1.0
  Zr  Zr4  1  0.79838100  0.59676200  0.55365700  1.0
  Zr  Zr5  1  0.40323800  0.20161900  0.55365700  1.0
  Zr  Zr6  1  0.79838100  0.20161900  0.94634300  1.0
  Zr  Zr7  1  0.79838100  0.59676200  0.94634300  1.0
  Zr  Zr8  1  0.40323800  0.20161900  0.94634300  1.0
  Zr  Zr9  1  0.20161900  0.79838100  0.05365700  1.0
  Zr  Zr10  1  0.20161900  0.40323800  0.05365700  1.0
  Zr  Zr11  1  0.59676200  0.79838100  0.05365700  1.0
  Zr  Zr12  1  0.53892400  0.46107600  0.25000000  1.0
  Zr  Zr13  1  0.53892400  0.07784900  0.25000000  1.0
  Zr  Zr14  1  0.92215100  0.46107600  0.25000000  1.0
  Zr  Zr15  1  0.46107600  0.53892400  0.75000000  1.0
  Zr  Zr16  1  0.46107600  0.92215100  0.75000000  1.0
  Zr  Zr17  1  0.07784900  0.53892400  0.75000000  1.0
  Re  Re18  1  0.89238800  0.10761200  0.25000000  1.0
  Re  Re19  1  0.89238800  0.78477500  0.25000000  1.0
  Re  Re20  1  0.21522500  0.10761200  0.25000000  1.0
  Re  Re21  1  0.10761200  0.89238800  0.75000000  1.0
  Re  Re22  1  0.10761200  0.21522500  0.75000000  1.0
  Re  Re23  1  0.78477500  0.89238800  0.75000000  1.0
  Re  Re24  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re25  1  0.00000000  0.00000000  0.00000000  1.0
  B  B26  1  0.33333300  0.66666700  0.25000000  1.0
  B  B27  1  0.66666700  0.33333300  0.75000000  1.0