# generated using pymatgen
data_NaCa2(B3Ir4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80796696
_cell_length_b   8.93873992
_cell_length_c   5.62744138
_cell_angle_alpha   81.21043679
_cell_angle_beta   64.24658373
_cell_angle_gamma   34.54297374
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa2(B3Ir4)2
_chemical_formula_sum   'Na1 Ca2 B6 Ir8'
_cell_volume   230.75192002
_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  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.32731816  0.32731816  0.67268184  1.0
  Ca  Ca2  1  0.67268184  0.67268184  0.32731816  1.0
  B  B3  1  0.67115898  0.98396021  0.01603979  1.0
  B  B4  1  0.98396021  0.67115898  0.32884102  1.0
  B  B5  1  0.32884102  0.01603979  0.98396021  1.0
  B  B6  1  0.01603979  0.32884102  0.67115898  1.0
  B  B7  1  0.16778536  0.83221464  0.16778536  1.0
  B  B8  1  0.83221464  0.16778536  0.83221464  1.0
  Ir  Ir9  1  0.58430906  0.58430906  0.91569094  1.0
  Ir  Ir10  1  0.91441704  0.91441704  0.08558296  1.0
  Ir  Ir11  1  0.41569094  0.41569094  0.08430906  1.0
  Ir  Ir12  1  0.08430906  0.08430906  0.41569094  1.0
  Ir  Ir13  1  0.91569094  0.91569094  0.58430906  1.0
  Ir  Ir14  1  0.25000000  0.25000000  0.25000000  1.0
  Ir  Ir15  1  0.08558296  0.08558296  0.91441704  1.0
  Ir  Ir16  1  0.75000000  0.75000000  0.75000000  1.0