data_[Cs4Be4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [11.8492]
_cell_length_b [9.0320]
_cell_length_c [5.8255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsBeCl3]
_chemical_formula_sum '[Cs4 Be4 Cl12]'
_cell_volume [622.3335]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.1755  0.0000  0.7250  1.0
  Be  Be1  4  0.0000  0.3463  0.0000  1.0
  Cl  Cl2  8  0.1015  0.2240  0.2095  1.0
  Cl  Cl3  4  0.0923  0.5000  0.8202  1.0
]