data_[La1Ce1B2P2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0677]
_cell_length_b [4.0677]
_cell_length_c [8.4726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LaCeB2(PIr)2]
_chemical_formula_sum '[La1 Ce1 B2 P2 Ir2]'
_cell_volume [140.1887]
_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
[
  La  La0  1  0.5000  0.5000  0.1966  1
  Ce  Ce1  1  0.0000  0.0000  0.8064  1
  B  B2  1  0.0000  0.0000  0.3923  1
  B  B3  1  0.5000  0.5000  0.6062  1
  P  P4  1  0.0000  0.0000  0.1546  1
  P  P5  1  0.5000  0.5000  0.8438  1
  Ir  Ir6  2  0.0000  0.5000  0.5000  1
]