data_[Be8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [12.1993]
_cell_length_b [12.1993]
_cell_length_c [18.9541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [BeTe]
_chemical_formula_sum '[Be8 Te8]'
_cell_volume [2442.9014]
_cell_formula_units_Z [8]
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  6  0.2010  0.6005  0.5266  1
  Be  Be1  2  0.3333  0.6667  0.4208  1
  Te  Te2  6  0.2244  0.4488  0.4567  1
  Te  Te3  2  0.3333  0.6667  0.6294  1
]