data_[Be4Cd2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.0350]
_cell_length_b [11.8581]
_cell_length_c [16.9211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Be2CdTe3]
_chemical_formula_sum '[Be4 Cd2 Te6]'
_cell_volume [1411.5846]
_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  4  0.0493  0.1625  0.4959  1
  Cd  Cd1  2  0.0259  0.5000  0.4936  1
  Te  Te2  4  0.2344  0.3141  0.5427  1
  Te  Te3  2  0.1647  0.0000  0.4292  1
]