# generated using pymatgen
data_NaGdB12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83366861
_cell_length_b   5.83366862
_cell_length_c   5.83366804
_cell_angle_alpha   60.00000331
_cell_angle_beta   60.00000328
_cell_angle_gamma   59.99999570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGdB12
_chemical_formula_sum   'Na1 Gd1 B12'
_cell_volume   140.38161432
_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
  Na  Na0  1  0.00000000  0.00000000  0.00000000  1.0
  Gd  Gd1  1  0.50000000  0.50000000  0.50000000  1.0
  B  B2  1  0.39933006  0.10066994  0.10066994  1.0
  B  B3  1  0.89933006  0.60066994  0.60066994  1.0
  B  B4  1  0.39933006  0.39933006  0.10066994  1.0
  B  B5  1  0.89933006  0.89933006  0.60066994  1.0
  B  B6  1  0.10066994  0.39933006  0.10066994  1.0
  B  B7  1  0.60066994  0.89933006  0.60066994  1.0
  B  B8  1  0.10066994  0.10066994  0.39933006  1.0
  B  B9  1  0.60066994  0.60066994  0.89933006  1.0
  B  B10  1  0.39933006  0.10066994  0.39933006  1.0
  B  B11  1  0.89933006  0.60066994  0.89933006  1.0
  B  B12  1  0.10066994  0.39933006  0.39933006  1.0
  B  B13  1  0.60066994  0.89933006  0.89933006  1.0