data_[Nd12In4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.3396]
_cell_length_b [11.7124]
_cell_length_c [5.7907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd3InO6]
_chemical_formula_sum '[Nd12 In4 O24]'
_cell_volume [633.4368]
_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
[
  Nd  Nd0  8  0.1953  0.1058  0.0236  1.0
  Nd  Nd1  4  0.0000  0.3985  0.0733  1.0
  In  In2  4  0.0000  0.1867  0.5037  1.0
  O  O3  8  0.1598  0.4845  0.7979  1.0
  O  O4  8  0.1623  0.2648  0.3071  1.0
  O  O5  4  0.0000  0.0288  0.3280  1.0
  O  O6  4  0.0000  0.2185  0.8526  1.0
]