# generated using pymatgen
data_CaNd(BIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09175408
_cell_length_b   6.12389787
_cell_length_c   5.54320635
_cell_angle_alpha   74.68126231
_cell_angle_beta   56.39198871
_cell_angle_gamma   48.92676956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd(BIr)4
_chemical_formula_sum   'Ca1 Nd1 B4 Ir4'
_cell_volume   149.23892187
_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
  Ca  Ca0  1  0.25000000  0.25000000  0.25000000  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.32378528  0.67621472  0.32378528  1.0
  B  B3  1  0.56989510  0.93010490  0.56989510  1.0
  B  B4  1  0.67621472  0.32378528  0.67621472  1.0
  B  B5  1  0.93010490  0.56989510  0.93010490  1.0
  Ir  Ir6  1  0.63132485  0.63132485  0.36867515  1.0
  Ir  Ir7  1  0.87926324  0.87926324  0.62073676  1.0
  Ir  Ir8  1  0.62073676  0.62073676  0.87926324  1.0
  Ir  Ir9  1  0.36867515  0.36867515  0.63132485  1.0