data_[Nd1Bi2Ir1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1641]
_cell_length_b [6.8866]
_cell_length_c [5.2197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NdBi2IrO8]
_chemical_formula_sum '[Nd1 Bi2 Ir1 O8]'
_cell_volume [185.5897]
_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
[
  Nd  Nd0  1  0.0000  0.5000  0.0000  1.0
  Bi  Bi1  2  0.5000  0.2455  0.5000  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.1638  0.2137  0.2008  1.0
  O  O4  2  0.2799  0.0000  0.7780  1.0
  O  O5  2  0.3348  0.5000  0.6968  1.0
]