data_[Be2Si1Te1]
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 [Pm]
_cell_length_a [4.0019]
_cell_length_b [3.7524]
_cell_length_c [5.2067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Be2SiTe]
_chemical_formula_sum '[Be2 Si1 Te1]'
_cell_volume [74.3490]
_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  0.5919  0.5000  0.8766  1
  Be  Be1  1  0.8855  0.0000  0.8170  1
  Si  Si2  1  0.3154  0.0000  0.6368  1
  Te  Te3  1  0.2072  0.5000  0.1696  1
]