data_[Be4Zn4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [7.2096]
_cell_length_b [8.3621]
_cell_length_c [6.8782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [BeZnTe2]
_chemical_formula_sum '[Be4 Zn4 Te8]'
_cell_volume [414.6704]
_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
[
  Be  Be0  4  0.0777  0.8746  0.0003  1.0
  Zn  Zn1  4  0.0866  0.3761  0.9981  1.0
  Te  Te2  4  0.0699  0.8880  0.6410  1.0
  Te  Te3  4  0.0972  0.3617  0.6104  1.0
]