data_[La12Bi4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.1700]
_cell_length_b [4.3951]
_cell_length_c [11.5530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La3BiIr]
_chemical_formula_sum '[La12 Bi4 Ir4]'
_cell_volume [652.1517]
_cell_formula_units_Z [4]
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  2  0.0007  0.5000  0.5011  1
  La  La1  2  0.0913  0.5000  0.9011  1
  La  La2  2  0.1566  0.0000  0.2817  1
  La  La3  2  0.2322  0.0000  0.6813  1
  La  La4  2  0.3649  0.5000  0.5903  1
  La  La5  2  0.3987  0.0000  0.1238  1
  Bi  Bi6  2  0.3063  0.5000  0.2445  1
  Bi  Bi7  2  0.4346  0.5000  0.9348  1
  Ir  Ir8  2  0.0819  0.0000  0.7249  1
  Ir  Ir9  2  0.1382  0.5000  0.4344  1
]