data_[Ce2Be4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Be  1.5700  1.0500  0.5900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4224]
_cell_length_b [8.4796]
_cell_length_c [6.1620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce(BeCl4)2]
_chemical_formula_sum '[Ce2 Be4 Cl16]'
_cell_volume [644.1334]
_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  0.0000  0.0000  1.0
  Be  Be1  4  0.1940  0.0000  0.6580  1.0
  Cl  Cl2  8  0.1077  0.1927  0.7621  1.0
  Cl  Cl3  4  0.1552  0.5000  0.2473  1.0
  Cl  Cl4  4  0.1687  0.0000  0.3124  1.0
]