data_BeBi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   7.57
_cell_angle_alpha   104.61
_cell_angle_beta   104.61
_cell_angle_gamma   58.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2Te
_chemical_formula_sum   'Be1 Bi2 Te1'
_cell_volume   105.59
_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  0.0  1.0
  Bi  Bi1  1  0.2  0.0  0.9  1.0
  Bi  Bi2  1  0.8  0.0  0.35  1.0
  Te  Te3  1  0.5  0.0  0.63  1.0

data_BeBi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.13
_cell_length_c   7.57
_cell_angle_alpha   104.61
_cell_angle_beta   90.0
_cell_angle_gamma   119.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2Te
_chemical_formula_sum   'Be1 Bi2 Te1'
_cell_volume   105.59
_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  0.0  1.0
  Bi  Bi1  1  0.0  0.2  0.65  1.0
  Bi  Bi2  1  0.0  0.8  0.1  1.0
  Te  Te3  1  0.0  0.5  0.37  1.0

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