data_[Ce2Zr6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.2346]
_cell_length_b [3.8561]
_cell_length_c [11.5088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce(ZrSe2)3]
_chemical_formula_sum '[Ce2 Zr6 Se12]'
_cell_volume [472.0764]
_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  0.0483  0.7500  0.7040  1.0
  Zr  Zr1  2  0.1298  0.7500  0.0747  1.0
  Zr  Zr2  2  0.3186  0.2500  0.4933  1.0
  Zr  Zr3  2  0.4428  0.7500  0.8569  1.0
  Se  Se4  2  0.1035  0.2500  0.9047  1.0
  Se  Se5  2  0.1288  0.7500  0.4700  1.0
  Se  Se6  2  0.2006  0.2500  0.2498  1.0
  Se  Se7  2  0.2744  0.2500  0.7260  1.0
  Se  Se8  2  0.3786  0.7500  0.0669  1.0
  Se  Se9  2  0.4864  0.7500  0.6210  1.0
]