# generated using pymatgen
data_NaCa(GdB12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13225089
_cell_length_b   7.13225157
_cell_length_c   5.83317064
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.47996957
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa(GdB12)2
_chemical_formula_sum   'Na1 Ca1 Gd2 B24'
_cell_volume   279.74235888
_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
  Ca  Ca1  1  0.50000000  0.50000000  0.00000000  1.0
  Gd  Gd2  1  0.75349216  0.24650784  0.50000000  1.0
  Gd  Gd3  1  0.24650784  0.75349216  0.50000000  1.0
  B  B4  1  0.17574970  0.32503280  0.64999202  1.0
  B  B5  1  0.92472999  0.57492030  0.14906985  1.0
  B  B6  1  0.67496720  0.82425030  0.64999202  1.0
  B  B7  1  0.42507970  0.07527001  0.14906985  1.0
  B  B8  1  0.17574970  0.32503280  0.35000798  1.0
  B  B9  1  0.92472999  0.57492030  0.85093015  1.0
  B  B10  1  0.67496720  0.82425030  0.35000798  1.0
  B  B11  1  0.42507970  0.07527001  0.85093015  1.0
  B  B12  1  0.39975505  0.39975505  0.50000000  1.0
  B  B13  1  0.14888611  0.65027941  0.00000000  1.0
  B  B14  1  0.89933901  0.89933901  0.50000000  1.0
  B  B15  1  0.65027941  0.14888611  0.00000000  1.0
  B  B16  1  0.32503280  0.17574970  0.64999202  1.0
  B  B17  1  0.07527001  0.42507970  0.14906985  1.0
  B  B18  1  0.82425030  0.67496720  0.64999202  1.0
  B  B19  1  0.57492030  0.92472999  0.14906985  1.0
  B  B20  1  0.10066099  0.10066099  0.50000000  1.0
  B  B21  1  0.85111389  0.34972059  0.00000000  1.0
  B  B22  1  0.60024495  0.60024495  0.50000000  1.0
  B  B23  1  0.34972059  0.85111389  0.00000000  1.0
  B  B24  1  0.32503280  0.17574970  0.35000798  1.0
  B  B25  1  0.07527001  0.42507970  0.85093015  1.0
  B  B26  1  0.82425030  0.67496720  0.35000798  1.0
  B  B27  1  0.57492030  0.92472999  0.85093015  1.0