# generated using pymatgen
data_CaNdB4Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52834153
_cell_length_b   6.31795712
_cell_length_c   5.66020633
_cell_angle_alpha   77.66535218
_cell_angle_beta   55.06985605
_cell_angle_gamma   47.26478071
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNdB4Ir5
_chemical_formula_sum   'Ca1 Nd1 B4 Ir5'
_cell_volume   155.12716450
_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  0.14440404  0.14440404  0.85559596  1.0
  Nd  Nd1  1  0.86289823  0.86289823  0.13710177  1.0
  B  B2  1  0.78853226  0.47085648  0.52914352  1.0
  B  B3  1  0.20778026  0.52880314  0.47119686  1.0
  B  B4  1  0.52880314  0.20778026  0.79221974  1.0
  B  B5  1  0.47085648  0.78853226  0.21146774  1.0
  Ir  Ir6  1  0.49896622  0.49896622  0.50103378  1.0
  Ir  Ir7  1  0.50039801  0.50039801  0.99960199  1.0
  Ir  Ir8  1  0.00039801  0.00039801  0.49960199  1.0
  Ir  Ir9  1  0.74848068  0.74848068  0.75151932  1.0
  Ir  Ir10  1  0.24848068  0.24848068  0.25151932  1.0