data_[K1Nd1Mg2Cl8]
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
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5213]
_cell_length_b [6.5290]
_cell_length_c [8.9704]
_cell_angle_alpha [80.0394]
_cell_angle_beta [80.5217]
_cell_angle_gamma [80.1740]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KNdMg2Cl8]
_chemical_formula_sum '[K1 Nd1 Mg2 Cl8]'
_cell_volume [367.0488]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.4597  0.4556  0.7078  1.0
  Cl  Cl3  2  0.1973  0.7454  0.2323  1.0
  Cl  Cl4  2  0.2333  0.7827  0.7740  1.0
  Cl  Cl5  2  0.2925  0.2670  0.9485  1.0
  Cl  Cl6  2  0.3422  0.3200  0.5085  1.0
]