# generated using pymatgen
data_CaLa(BIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09608727
_cell_length_b   6.13571712
_cell_length_c   5.56466398
_cell_angle_alpha   74.49187948
_cell_angle_beta   56.42701671
_cell_angle_gamma   49.08110257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa(BIr)4
_chemical_formula_sum   'Ca1 La1 B4 Ir4'
_cell_volume   150.79710023
_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
  La  La1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.32531565  0.67468435  0.32531565  1.0
  B  B3  1  0.56982516  0.93017484  0.56982516  1.0
  B  B4  1  0.67468435  0.32531565  0.67468435  1.0
  B  B5  1  0.93017484  0.56982516  0.93017484  1.0
  Ir  Ir6  1  0.63233803  0.63233803  0.36766197  1.0
  Ir  Ir7  1  0.87944011  0.87944011  0.62055989  1.0
  Ir  Ir8  1  0.62055989  0.62055989  0.87944011  1.0
  Ir  Ir9  1  0.36766197  0.36766197  0.63233803  1.0