data_[Be1Si1Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9606]
_cell_length_b [7.1692]
_cell_length_c [18.3632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [105.7106]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BeSiTe3]
_chemical_formula_sum '[Be1 Si1 Te3]'
_cell_volume [501.9345]
_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  0.1816  0.8779  0.4801  1
  Si  Si1  1  0.8496  0.2388  0.5201  1
  Te  Te2  1  0.2796  0.0903  0.5952  1
  Te  Te3  1  0.7368  0.0015  0.4121  1
  Te  Te4  1  0.7727  0.5649  0.4925  1
]