data_[Ce2Y4Er6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  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 [17.8518]
_cell_length_b [4.0554]
_cell_length_c [8.2020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeY2(ErSe2)3]
_chemical_formula_sum '[Ce2 Y4 Er6 Se12]'
_cell_volume [576.8283]
_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  2  0.0000  0.5000  0.0000  1.0
  Y  Y1  4  0.1638  0.0000  0.3278  1.0
  Er  Er2  4  0.1645  0.0000  0.8349  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0011  0.0000  0.7399  1.0
  Se  Se5  4  0.1671  0.5000  0.5861  1.0
  Se  Se6  4  0.1714  0.5000  0.0823  1.0
]