data_[Zr24Be8Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4_132]
_cell_length_a [11.1387]
_cell_length_b [11.1387]
_cell_length_c [11.1387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [214]
_chemical_formula_structural [Zr3BeTe3]
_chemical_formula_sum '[Zr24 Be8 Te24]'
_cell_volume [1382.0035]
_cell_formula_units_Z [8]
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
[
  Zr  Zr0  24  0.1111  0.3611  0.1250  1
  Be  Be1  8  0.1250  0.1250  0.1250  1
  Te  Te2  24  0.1158  0.1342  0.6250  1
]