data_[Be2Zn4Te2]
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 [Cmm2]
_cell_length_a [4.1870]
_cell_length_b [6.2577]
_cell_length_c [6.0839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [BeZn2Te]
_chemical_formula_sum '[Be2 Zn4 Te2]'
_cell_volume [159.4020]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.4524  1
  Zn  Zn1  2  0.0000  0.0000  0.0536  1
  Zn  Zn2  2  0.0000  0.5000  0.2714  1
  Te  Te3  2  0.0000  0.5000  0.7226  1
]