data_[Cs4Nd2Mg4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5102]
_cell_length_b [4.3261]
_cell_length_c [8.6267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Nd(MgSe2)2]
_chemical_formula_sum '[Cs4 Nd2 Mg4 Se8]'
_cell_volume [586.8224]
_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
[
  Cs  Cs0  4  0.1270  0.0000  0.5385  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.1716  0.5000  0.9758  1
  Se  Se3  4  0.0239  0.5000  0.7687  1
  Se  Se4  4  0.2009  0.0000  0.1575  1
]