data_[Zr4Be4Te12]
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 [Ama2]
_cell_length_a [3.9401]
_cell_length_b [25.2052]
_cell_length_c [6.6818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [ZrBeTe3]
_chemical_formula_sum '[Zr4 Be4 Te12]'
_cell_volume [663.5755]
_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
[
  Zr  Zr0  4  0.2500  0.1695  0.2616  1
  Be  Be1  4  0.2500  0.3642  0.1199  1
  Te  Te2  4  0.2500  0.0819  0.5190  1
  Te  Te3  4  0.2500  0.2719  0.9920  1
  Te  Te4  4  0.2500  0.3690  0.4866  1
]