data_[K12Nd9Mo3O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1189]
_cell_length_b [7.1189]
_cell_length_c [18.8239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K4Nd3MoO8]
_chemical_formula_sum '[K12 Nd9 Mo3 O24]'
_cell_volume [826.1556]
_cell_formula_units_Z [3]
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
[
  K  K0  9  0.0000  0.5000  0.0000  1.0
  K  K1  3  0.0000  0.0000  0.0000  1.0
  Nd  Nd2  9  0.0000  0.5000  0.5000  1.0
  Mo  Mo3  3  -0.0000  -0.0000  0.5000  1.0
  O  O4  18  0.0154  0.5077  0.2295  1.0
  O  O5  6  0.0000  0.0000  0.2311  1.0
]