data_[Ce10Zr4Se24]
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 [16.4441]
_cell_length_b [7.5829]
_cell_length_c [9.3695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5(ZrSe6)2]
_chemical_formula_sum '[Ce10 Zr4 Se24]'
_cell_volume [1114.5310]
_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  0.1851  0.5000  0.8371  1.0
  Ce  Ce1  4  0.2020  0.5000  0.3549  1.0
  Ce  Ce2  2  0.0000  0.0000  0.5000  1.0
  Zr  Zr3  4  0.0000  0.2522  0.0000  1.0
  Se  Se4  8  0.1489  0.2511  0.5672  1.0
  Se  Se5  8  0.1714  0.2581  0.0909  1.0
  Se  Se6  4  0.0043  0.5000  0.2157  1.0
  Se  Se7  4  0.0051  0.0000  0.8056  1.0
]