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 [Cm]
_cell_length_a [13.8474]
_cell_length_b [4.1736]
_cell_length_c [7.2820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeZnTe2]
_chemical_formula_sum '[Be4 Zn4 Te8]'
_cell_volume [414.8778]
_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  2  0.0115  0.0000  0.9987  1.0
  Be  Be1  2  0.2563  0.5000  0.2357  1.0
  Zn  Zn2  2  0.0070  0.5000  0.4870  1.0
  Zn  Zn3  2  0.2625  0.0000  0.7491  1.0
  Te  Te4  2  0.1923  0.0000  0.0692  1.0
  Te  Te5  2  0.2015  0.5000  0.5384  1.0
  Te  Te6  2  0.4367  0.5000  0.2830  1.0
  Te  Te7  2  0.4573  0.0000  0.8247  1.0
]