data_BeSiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63
_cell_length_b   9.63
_cell_length_c   9.63
_cell_angle_alpha   23.65
_cell_angle_beta   23.65
_cell_angle_gamma   23.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiTe2
_chemical_formula_sum   'Be1 Si1 Te2'
_cell_volume   126.41
_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  0.0  0.0  0.89  1.0
  Si  Si1  1  0.0  0.0  0.84  1.0
  Te  Te2  1  0.0  0.0  0.62  1.0
  Te  Te3  1  0.0  0.0  0.77  1.0

data_BeSiTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.84
_cell_length_b   3.95
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   103.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeSiTe2
_chemical_formula_sum   'Be2 Si2 Te4'
_cell_volume   252.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.11  1.0
  Si  Si1  2  -0.0  0.0  0.16  1.0
  Te  Te2  2  -0.0  0.0  0.38  1.0
  Te  Te3  2  -0.0  0.0  0.23  1.0

Be Si Te Te
Be Si Te Te 0 1 o o o 1 3 o o o 2 3 o o o 