# generated using pymatgen
data_NaCa(BIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98762651
_cell_length_b   6.07049035
_cell_length_c   5.47900513
_cell_angle_alpha   74.26158732
_cell_angle_beta   56.73880293
_cell_angle_gamma   48.99961566
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa(BIr)4
_chemical_formula_sum   'Na1 Ca1 B4 Ir4'
_cell_volume   145.21484931
_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  0.25000000  0.25000000  0.25000000  1.0
  B  B2  1  0.31946877  0.68053123  0.31946877  1.0
  B  B3  1  0.57098396  0.92901604  0.57098396  1.0
  B  B4  1  0.68053123  0.31946877  0.68053123  1.0
  B  B5  1  0.92901604  0.57098396  0.92901604  1.0
  Ir  Ir6  1  0.63040211  0.63040211  0.36959789  1.0
  Ir  Ir7  1  0.88153693  0.88153693  0.61846307  1.0
  Ir  Ir8  1  0.61846307  0.61846307  0.88153693  1.0
  Ir  Ir9  1  0.36959789  0.36959789  0.63040211  1.0