data_[Ce2Y6Er4Se12]
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 [17.8572]
_cell_length_b [4.0516]
_cell_length_c [8.1678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeY3(ErSe3)2]
_chemical_formula_sum '[Ce2 Y6 Er4 Se12]'
_cell_volume [574.4899]
_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  0.1630  0.0000  0.8352  1.0
  Y  Y2  2  0.0000  0.5000  0.5000  1.0
  Er  Er3  4  0.1637  0.0000  0.3272  1.0
  Se  Se4  4  0.0018  0.0000  0.2587  1.0
  Se  Se5  4  0.1693  0.5000  0.5806  1.0
  Se  Se6  4  0.1712  0.5000  0.0891  1.0
]