data_BeBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   3.94
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   108.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBiTe2
_chemical_formula_sum   'Be1 Bi1 Te2'
_cell_volume   117.72
_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  0.65  0.0  0.97  1.0
  Bi  Bi1  1  0.57  0.97  0.1  1.0
  Te  Te2  1  0.06  0.0  0.59  1.0
  Te  Te3  1  0.16  0.97  0.36  1.0

data_BeBiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.47
_cell_length_c   7.03
_cell_angle_alpha   108.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBiTe2
_chemical_formula_sum   'Be1 Bi1 Te2'
_cell_volume   117.72
_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  0.35  0.03  1.0
  Bi  Bi1  1  0.03  0.43  0.9  1.0
  Te  Te2  1  0.0  0.94  0.41  1.0
  Te  Te3  1  0.03  0.84  0.64  1.0

Be Bi Te Te
Be Bi Te Te 0 1 o - + 2 3 o - o 