data_[Rb4Ca4Nd8Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.6198]
_cell_length_b [8.8608]
_cell_length_c [12.3609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [RbCa(NdSe2)2]
_chemical_formula_sum '[Rb4 Ca4 Nd8 Se16]'
_cell_volume [944.1046]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.2500  1.0
  Ca  Ca1  4  0.0000  0.0000  0.5000  1.0
  Nd  Nd2  4  0.0000  0.0000  0.0000  1.0
  Nd  Nd3  4  0.2500  0.2500  0.7500  1.0
  Se  Se4  8  0.0000  0.0224  0.7523  1.0
  Se  Se5  8  0.2495  0.2500  0.9905  1.0
]