data_[Cs4Be4Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0383]
_cell_length_b [4.1394]
_cell_length_c [7.0555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsBeSb]
_chemical_formula_sum '[Cs4 Be4 Sb4]'
_cell_volume [423.3085]
_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  0.0943  0.5000  0.3058  1.0
  Be  Be1  4  0.2206  0.5000  0.9318  1.0
  Sb  Sb2  4  0.1386  0.0000  0.8014  1.0
]