data_[Be1Zn1Te2]
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 [P3m1]
_cell_length_a [4.1620]
_cell_length_b [4.1620]
_cell_length_c [6.8861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [BeZnTe2]
_chemical_formula_sum '[Be1 Zn1 Te2]'
_cell_volume [103.3003]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.2370  1.0
  Zn  Zn1  1  0.0000  0.0000  0.7324  1.0
  Te  Te2  1  0.0000  0.0000  0.3472  1.0
  Te  Te3  1  0.3333  0.6667  0.8812  1.0
]