data_BeBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   148.46
_cell_angle_beta   134.5
_cell_angle_gamma   56.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBiTe2
_chemical_formula_sum   'Be1 Bi1 Te2'
_cell_volume   110.05
_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  0.56  1.0
  Bi  Bi1  1  0.0  0.58  0.0  1.0
  Te  Te2  1  0.0  0.0  0.28  1.0
  Te  Te3  1  0.81  0.0  0.92  1.0

data_BeBiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.16
_cell_length_c   6.67
_cell_angle_alpha   112.75
_cell_angle_beta   105.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBiTe2
_chemical_formula_sum   'Be1 Bi1 Te2'
_cell_volume   110.05
_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  0.56  0.56  1.0
  Bi  Bi1  1  0.42  0.42  0.42  1.0
  Te  Te2  1  0.0  0.28  0.28  1.0
  Te  Te3  1  0.0  0.92  0.1  1.0

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