data_[Ce4Zr4Se10]
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 [C2/m]
_cell_length_a [13.9097]
_cell_length_b [5.1822]
_cell_length_c [7.4193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Zr2Se5]
_chemical_formula_sum '[Ce4 Zr4 Se10]'
_cell_volume [475.1458]
_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  0.1152  0.5000  0.2748  1
  Zr  Zr1  4  0.1665  0.0000  0.8982  1
  Se  Se2  4  0.1214  0.5000  0.8594  1
  Se  Se3  4  0.1480  0.0000  0.5260  1
  Se  Se4  2  0.0000  0.0000  0.0000  1
]