data_[Sr2Ce6Nd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6462]
_cell_length_b [4.2119]
_cell_length_c [8.5302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCe3(NdSe3)2]
_chemical_formula_sum '[Sr2 Ce6 Nd4 Se12]'
_cell_volume [650.2534]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  4  0.1668  0.0000  0.8308  1.0
  Ce  Ce2  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  4  0.1700  0.0000  0.3389  1.0
  Se  Se4  4  0.0012  0.0000  0.2555  1.0
  Se  Se5  4  0.1650  0.5000  0.5838  1.0
  Se  Se6  4  0.1681  0.5000  0.0836  1.0
]