data_[Ba4Be8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6291]
_cell_length_b [13.3719]
_cell_length_c [5.9344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba(BeCl3)2]
_chemical_formula_sum '[Ba4 Be8 Cl24]'
_cell_volume [995.0299]
_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
[
  Ba  Ba0  4  0.0000  0.1412  0.7500  1
  Be  Be1  8  0.2066  0.4310  0.7606  1
  Cl  Cl2  8  0.1287  0.0792  0.2214  1
  Cl  Cl3  8  0.1394  0.3093  0.6161  1
  Cl  Cl4  8  0.1621  0.4414  0.0819  1
]