data_[Ce4Nd2Er6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0660]
_cell_length_b [12.2548]
_cell_length_c [7.2697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Nd(ErSe2)3]
_chemical_formula_sum '[Ce4 Nd2 Er6 Se12]'
_cell_volume [595.4235]
_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
[
  Ce  Ce0  4  0.0000  0.3334  0.0000  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Er  Er2  4  0.0000  0.1637  0.5000  1
  Er  Er3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2433  0.3323  0.7330  1
  Se  Se5  4  0.2473  0.0000  0.7355  1
]