data_[Nd2Cr1Bi1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cr  1.6600  1.4000  0.9400
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.5037]
_cell_length_b [5.5037]
_cell_length_c [5.3019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Nd2CrBiO6]
_chemical_formula_sum '[Nd2 Cr1 Bi1 O6]'
_cell_volume [160.5972]
_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  2  0.0000  0.5000  0.9921  1
  Cr  Cr1  1  0.0000  0.0000  0.6073  1
  Bi  Bi2  1  0.5000  0.5000  0.5508  1
  O  O3  4  0.2380  0.2380  0.7367  1
  O  O4  1  0.0000  0.0000  0.2376  1
  O  O5  1  0.5000  0.5000  0.1200  1
]