data_[Rb3Nd1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.9617]
_cell_length_b [8.0963]
_cell_length_c [8.1324]
_cell_angle_alpha [90.2339]
_cell_angle_beta [119.2947]
_cell_angle_gamma [118.7997]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb3NdCl6]
_chemical_formula_sum '[Rb3 Nd1 Cl6]'
_cell_volume [380.3982]
_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
[
  Rb  Rb0  2  0.4924  0.7691  0.2170  1.0
  Rb  Rb1  1  0.0000  0.5000  0.5000  1.0
  Nd  Nd2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0258  0.3198  0.8690  1.0
  Cl  Cl4  2  0.0850  0.1806  0.3451  1.0
  Cl  Cl5  2  0.4650  0.1692  0.1723  1.0
]