data_[Rb1Ca2Nd1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5289]
_cell_length_b [8.8278]
_cell_length_c [6.7506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbCa2NdCl8]
_chemical_formula_sum '[Rb1 Ca2 Nd1 Cl8]'
_cell_volume [389.0574]
_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  1  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  2  0.5000  0.2545  0.5000  1.0
  Nd  Nd2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2391  0.2150  0.1795  1.0
  Cl  Cl4  2  0.2743  0.0000  0.6766  1.0
  Cl  Cl5  2  0.2869  0.5000  0.6316  1.0
]