data_[Cs12Be4Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.7175]
_cell_length_b [14.4267]
_cell_length_c [12.5914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs3BeTe3]
_chemical_formula_sum '[Cs12 Be4 Te12]'
_cell_volume [1294.3147]
_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  0.1495  0.2050  0.3839  1
  Cs  Cs1  4  0.3548  0.5609  0.1185  1
  Cs  Cs2  4  0.3549  0.6227  0.5245  1
  Be  Be3  4  0.0533  0.5444  0.6337  1
  Te  Te4  4  0.0797  0.0477  0.7368  1
  Te  Te5  4  0.1558  0.1029  0.0933  1
  Te  Te6  4  0.3036  0.6523  0.8082  1
]