data_[Be4Te4]
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 [Pm]
_cell_length_a [17.3158]
_cell_length_b [9.7471]
_cell_length_c [17.3158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeTe]
_chemical_formula_sum '[Be4 Te4]'
_cell_volume [2530.9773]
_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  0.4532  0.1331  0.4564  1
  Be  Be1  2  0.5448  0.3672  0.5454  1
  Te  Te2  2  0.5546  0.2509  0.4389  1
  Te  Te3  1  0.3541  0.0000  0.4690  1
  Te  Te4  1  0.5407  0.5000  0.6494  1
]