data_[K4Na2Nd2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7984]
_cell_length_b [8.2380]
_cell_length_c [13.4857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2NaNdBr6]
_chemical_formula_sum '[K4 Na2 Nd2 Br12]'
_cell_volume [718.1225]
_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
[
  K  K0  4  0.2848  0.0787  0.2561  1.0
  Na  Na1  2  0.5000  0.0000  0.0000  1.0
  Nd  Nd2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1286  0.0373  0.7477  1.0
  Br  Br4  4  0.2489  0.7064  0.5620  1.0
  Br  Br5  4  0.3557  0.1933  0.5563  1.0
]