data_[La6Bi2Ir2]
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 [Pmma]
_cell_length_a [6.8455]
_cell_length_b [5.6601]
_cell_length_c [8.3502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [La3BiIr]
_chemical_formula_sum '[La6 Bi2 Ir2]'
_cell_volume [323.5353]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.0000  1.0
  La  La1  2  0.2500  0.0000  0.2655  1.0
  La  La2  2  0.2500  0.5000  0.6193  1.0
  Bi  Bi3  2  0.2500  0.0000  0.8442  1.0
  Ir  Ir4  2  0.2500  0.5000  0.2908  1.0
]